UCSF

ZINC11570833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 11 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) 1.00 4.03 -38.67 2 2 1 29 151.233 3
Lo Low (pH 4.5-6) 1.00 4.31 -91.59 3 2 2 31 152.241 3

Activity (Go SEA)

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