UCSF

ZINC44686709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.12 7.17 -38.71 2 3 1 29 287.427 6
Hi High (pH 8-9.5) 3.12 8.59 -33.39 2 3 1 26 287.427 6
Lo Low (pH 4.5-6) 3.12 9.61 -112.74 3 3 2 30 288.435 6

Activity (Go SEA)

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