UCSF

ZINC23098330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 33 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) 1.67 4.61 -22.88 2 9 0 102 474.583 10
Lo Low (pH 4.5-6) 1.67 6.9 -66.55 3 9 1 103 475.591 10

Activity (Go SEA)

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