UCSF

ZINC22176840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.08 3.4 -62.61 2 6 -1 104 279.316 3
Lo Low (pH 4.5-6) 0.08 2.28 -16.31 3 6 0 101 280.324 3

Activity (Go SEA)

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