UCSF

ZINC42351864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 1.80 8.47 -47.95 0 4 -1 60 252.334 6
Lo Low (pH 4.5-6) 1.80 6.48 -5.96 1 4 0 58 253.342 6

Activity (Go SEA)

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