UCSF

ZINC32118460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 No

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) 3.68 6.58 -7.18 0 3 0 39 271.291 5
Lo Low (pH 4.5-6) 3.68 7.67 -49.69 1 3 1 40 272.299 5

Activity (Go SEA)

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