UCSF

ZINC59539136

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 15 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 -0.53 -6.03 4 4 0 68 210.277 5
Lo Low (pH 4.5-6) 0.99 0.1 -36.81 5 4 1 72 211.285 5
Lo Low (pH 4.5-6) 0.99 -0.68 -42.73 5 4 1 69 211.285 5

Activity (Go SEA)

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