UCSF

ZINC22162813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 0.65 1.35 -54.5 1 5 -1 86 222.286 8
Lo Low (pH 4.5-6) 0.65 0.24 -17.11 2 5 0 83 223.294 8

Activity (Go SEA)

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