UCSF

ZINC34527836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 2.1 -96.3 7 5 2 69 327.561 1
Hi High (pH 8-9.5) 0.77 1.15 -33.69 6 5 1 65 326.553 1
Hi High (pH 8-9.5) 0.77 2.42 -103.93 7 5 2 69 327.561 1
Mid Mid (pH 6-8) 0.77 3.19 -194.51 8 5 3 74 328.569 1
Mid Mid (pH 6-8) 0.77 3.79 -211.63 8 5 3 74 328.569 1
Mid Mid (pH 6-8) 0.77 2.53 -95.45 7 5 2 69 327.561 1
Lo Low (pH 4.5-6) 0.77 3.8 -227.64 8 5 3 74 328.569 1

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Analogs ( Draw Identity 99% 90% 80% 70% )