UCSF

ZINC32169205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 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) 2.74 7.99 -39.12 2 1 0 17 204.337 2
Mid Mid (pH 6-8) 2.74 7.62 -1.48 1 1 0 12 203.329 2

Activity (Go SEA)

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