UCSF

ZINC42451090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.26 4.04 -44.15 2 3 1 44 184.307 8
Lo Low (pH 4.5-6) 0.26 6.18 -112.75 3 3 2 45 185.315 8

Activity (Go SEA)

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