UCSF

ZINC59538799

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 14 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) 1.16 0.95 -5.28 4 3 0 58 194.278 5
Lo Low (pH 4.5-6) 1.16 1.37 -36.38 5 3 1 63 195.286 5
Lo Low (pH 4.5-6) 1.16 0.81 -41.64 5 3 1 60 195.286 5

Activity (Go SEA)

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