UCSF

ZINC22116399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 11 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) 1.16 1.18 -39.81 4 2 1 48 158.265 2
Hi High (pH 8-9.5) 1.16 0.88 -2.41 3 2 0 46 157.257 2

Activity (Go SEA)

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