UCSF

ZINC61213125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 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) 1.43 4.05 -43.22 2 5 1 68 247.322 6
Lo Low (pH 4.5-6) 1.43 4.52 -83.46 3 5 2 70 248.33 6

Activity (Go SEA)

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