UCSF

ZINC43600452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 20 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) 1.10 3.7 -10.88 2 6 0 64 291.38 2
Mid Mid (pH 6-8) 1.10 6.04 -49.53 3 6 1 65 292.388 2

Activity (Go SEA)

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