UCSF

ZINC31946851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.15 5.82 -104.23 4 6 2 70 338.477 4
Hi High (pH 8-9.5) 0.15 1.99 -12.42 2 6 0 65 336.461 4
Mid Mid (pH 6-8) 0.15 4.45 -45.65 3 6 1 66 337.469 4

Activity (Go SEA)

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