UCSF

ZINC42944652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 1.80 5.95 -50.4 3 3 1 55 266.796 6
Lo Low (pH 4.5-6) 1.80 7.4 -136.78 4 3 2 56 267.804 6

Activity (Go SEA)

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