UCSF

ZINC32128404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.79 8.26 -49.55 3 3 1 48 283.395 4
Mid Mid (pH 6-8) 2.79 7.87 -9.32 2 3 0 46 282.387 4

Activity (Go SEA)

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