UCSF

ZINC43413698

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.79 6.04 -79.21 4 5 0 97 298.427 10
Lo Low (pH 4.5-6) 1.79 4.07 -52.11 5 5 1 94 299.435 10

Activity (Go SEA)

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