UCSF

ZINC37038692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.46 3.99 -53.37 3 4 1 51 280.367 4
Mid Mid (pH 6-8) 0.46 5.84 -117.89 4 4 2 52 281.375 4

Activity (Go SEA)

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