UCSF

ZINC34959027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.82 3.13 -7.22 3 4 0 68 245.257 3
Lo Low (pH 4.5-6) 0.82 3.59 -39.37 4 4 1 69 246.265 3

Activity (Go SEA)

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