UCSF

ZINC38458947

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 25 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) 3.41 12.57 -54.84 0 3 -1 43 336.386 4
Lo Low (pH 4.5-6) 3.41 13.32 -82.53 1 3 0 45 337.394 4

Activity (Go SEA)

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