UCSF

ZINC24380249

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 19 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) 3.95 10.07 -7.32 0 2 0 18 278.689 2
Lo Low (pH 4.5-6) 3.95 10.51 -36.37 1 2 1 19 279.697 2

Activity (Go SEA)

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