UCSF

ZINC63166152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 15 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) 0.72 5.97 -100.43 3 4 2 47 216.325 6
Mid Mid (pH 6-8) 0.72 3.74 -42.22 2 4 1 46 215.317 6

Activity (Go SEA)

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