UCSF

ZINC12360209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 16 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) -0.99 3.35 -42.05 3 4 0 81 216.24 3
Lo Low (pH 4.5-6) -0.99 3.63 -82.67 4 4 1 82 217.248 3

Activity (Go SEA)

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