UCSF

ZINC42767777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.53 4.71 -108.57 5 3 2 56 225.361 3
Mid Mid (pH 6-8) 1.53 2.64 -37.23 4 3 1 55 224.353 3

Activity (Go SEA)

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