UCSF

ZINC01319093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 18 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) 3.10 9.07 -51.08 0 2 -1 40 237.278 1
Lo Low (pH 4.5-6) 3.10 7.95 -8.52 1 2 0 37 238.286 1

Activity (Go SEA)

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