UCSF

ZINC49137252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 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) 0.21 6.62 -18.01 1 6 0 67 272.308 4
Mid Mid (pH 6-8) 0.21 7.17 -42.2 2 6 1 68 273.316 4

Activity (Go SEA)

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