UCSF

ZINC38735802

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 23 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) 1.12 5.04 -24.16 2 6 0 76 328.397 3
Lo Low (pH 4.5-6) 1.12 5.47 -42.16 3 6 1 77 329.405 3

Activity (Go SEA)

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