UCSF

ZINC44684306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.55 3.1 -42.56 3 4 1 49 263.361 5
Hi High (pH 8-9.5) 1.56 3.96 -34 2 4 0 52 262.353 5
Hi High (pH 8-9.5) 1.55 1.87 -5.34 2 4 0 45 262.353 5
Lo Low (pH 4.5-6) 1.56 4.21 -35.17 3 4 1 46 263.361 5

Activity (Go SEA)

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