UCSF

ZINC22017479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 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) 1.62 4.34 -15.08 3 6 0 92 312.373 3
Ref Reference (pH 7) 1.62 4.18 -16.15 3 6 0 92 312.373 3

Activity (Go SEA)

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