UCSF

ZINC31933053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 No

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) 3.35 11.82 -59.05 1 6 1 68 311.365 4
Mid Mid (pH 6-8) 3.35 10.27 -14.09 0 6 0 66 310.357 4

Activity (Go SEA)

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