UCSF

ZINC32201637

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 33 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) 3.85 8.7 -71.7 2 7 1 82 449.506 7
Hi High (pH 8-9.5) 3.85 6.6 -22.47 1 7 0 80 448.498 7

Activity (Go SEA)

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