UCSF

ZINC32119806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.96 1.39 -10.21 2 5 0 64 272.304 5
Lo Low (pH 4.5-6) 0.96 2.9 -59.75 3 5 1 68 273.312 5

Activity (Go SEA)

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