UCSF

ZINC59997969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.19 6.6 -52.27 0 1 -1 23 197.257 1
Lo Low (pH 4.5-6) 3.19 6.16 -4.91 1 1 0 20 198.265 1

Activity (Go SEA)

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