UCSF

ZINC41706038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 1.50 7.67 -15.11 0 3 0 35 226.279 2
Lo Low (pH 4.5-6) 1.50 8.13 -50.98 1 3 1 36 227.287 2

Activity (Go SEA)

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