UCSF

ZINC47236783

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 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) 0.71 6.97 -39.53 1 4 1 39 222.312 4
Mid Mid (pH 6-8) 0.71 6.86 -11.78 0 4 0 38 221.304 4

Activity (Go SEA)

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