UCSF

ZINC34695202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 25 No

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Annotations

Vendors

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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) 1.58 7.92 -15.5 1 5 0 41 356.495 8
Mid Mid (pH 6-8) 1.58 10.19 -51.06 2 5 1 42 357.503 8
Lo Low (pH 4.5-6) 1.58 10.64 -105.51 3 5 2 43 358.511 8

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