UCSF

ZINC37080282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.46 7.51 -37.78 1 4 0 58 206.245 4
Mid Mid (pH 6-8) 1.46 7.13 -48.59 0 4 -1 56 205.237 4

Activity (Go SEA)

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