UCSF

ZINC32051263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 0.91 7.88 -101.82 3 4 2 41 289.423 3
Mid Mid (pH 6-8) 0.91 6.49 -46.97 2 4 1 37 288.415 3

Activity (Go SEA)

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