UCSF

ZINC44812038

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 14 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 2.83 -13.18 0 4 0 47 195.266 2
Mid Mid (pH 6-8) 0.46 5.07 -53.17 1 4 1 49 196.274 2

Activity (Go SEA)

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