UCSF

ZINC32130457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 16 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) 1.55 5.16 -47.07 3 3 1 48 286.193 5
Mid Mid (pH 6-8) 1.55 4.78 -8.38 2 3 0 46 285.185 5

Activity (Go SEA)

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