UCSF

ZINC29396011

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 22 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) 0.17 0.22 -92.71 6 5 2 82 304.39 0
Hi High (pH 8-9.5) 0.17 -2.03 -41.22 5 5 1 81 303.382 0
Hi High (pH 8-9.5) 0.17 -2.26 -6.52 4 5 0 79 302.374 0
Hi High (pH 8-9.5) 0.17 -0.01 -43.17 5 5 1 80 303.382 0

Activity (Go SEA)

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