UCSF

ZINC44687008

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.31 2.88 -39.96 4 5 1 63 253.37 3
Lo Low (pH 4.5-6) 0.31 1.39 -49.88 4 5 1 66 253.37 3
Lo Low (pH 4.5-6) 0.31 3.88 -121.56 5 5 2 67 254.378 3

Activity (Go SEA)

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