UCSF

ZINC35718764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) 1.24 3.1 -40.94 3 2 1 31 213.37 5
Lo Low (pH 4.5-6) 1.24 4.88 -119.93 4 2 2 32 214.378 5

Activity (Go SEA)

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