UCSF

ZINC19439734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.52 6.05 -12.3 1 3 0 53 216.284 4
Mid Mid (pH 6-8) 2.58 3.38 -7.58 1 3 0 56 216.284 4

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Rings

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