UCSF

ZINC41672166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 1.44 2.95 -6.86 1 3 0 38 185.248 4
Lo Low (pH 4.5-6) 1.44 4.26 -35.93 2 3 1 43 186.256 4

Activity (Go SEA)

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