UCSF

ZINC36670670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 2.65 8.07 -94.43 4 4 2 48 349.276 3
Mid Mid (pH 6-8) 2.65 7.72 -49.34 3 4 1 47 348.268 3

Activity (Go SEA)

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