UCSF

ZINC44686115

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) 0.39 5.34 -40.93 2 4 1 37 252.382 3
Hi High (pH 8-9.5) 0.39 4.04 -48.62 2 4 1 40 252.382 3
Hi High (pH 8-9.5) 0.39 3.05 -7.83 1 4 0 36 251.374 3
Lo Low (pH 4.5-6) 0.39 6.38 -121.8 3 4 2 41 253.39 3

Activity (Go SEA)

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