UCSF

ZINC44994790

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 0.42 4.48 -38.36 2 4 1 42 221.328 4
Hi High (pH 8-9.5) 0.42 3.23 -41.87 2 4 1 46 221.328 4
Hi High (pH 8-9.5) 0.42 2.02 -5.21 1 4 0 41 220.32 4
Lo Low (pH 4.5-6) 0.42 5.68 -114.24 3 4 2 47 222.336 4

Activity (Go SEA)

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