UCSF

ZINC19867314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.85 7.39 -50.01 1 4 -1 76 245.302 8
Lo Low (pH 4.5-6) 2.85 6.27 -12.91 2 4 0 73 246.31 8

Activity (Go SEA)

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