UCSF

ZINC53897235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 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) 0.24 6.02 -39.92 1 4 1 34 241.355 3
Mid Mid (pH 6-8) 0.24 3.85 -9.23 0 4 0 33 240.347 3

Activity (Go SEA)

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