UCSF

ZINC11727372

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 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) 0.26 2.82 -34.48 2 3 1 38 193.27 3
Lo Low (pH 4.5-6) 0.26 3.11 -94.12 3 3 2 39 194.278 3

Activity (Go SEA)

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