UCSF

ZINC43455327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.74 7.96 -118.09 4 2 2 32 242.451 9
Mid Mid (pH 6-8) 3.74 7.56 -30.52 3 2 1 30 241.443 9
Mid Mid (pH 6-8) 3.74 6.12 -43.8 3 2 1 31 241.443 9

Activity (Go SEA)

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