UCSF

ZINC08309447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 20 No

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Annotations

None

Vendors

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) 2.01 4.88 -44.21 3 5 1 63 282.339 7
Hi High (pH 8-9.5) 2.01 2.95 -18.37 2 5 0 61 281.331 7
Hi High (pH 8-9.5) 1.83 1.67 -42.8 1 5 -1 68 280.323 7

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