UCSF

ZINC44659180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.65 3.46 -37.16 2 3 1 29 215.361 8
Hi High (pH 8-9.5) 1.65 2.24 -2.3 1 3 0 24 214.353 8
Mid Mid (pH 6-8) 1.65 4.71 -34.67 2 3 1 26 215.361 8

Activity (Go SEA)

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