UCSF

ZINC20544986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 16 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) 1.15 2.46 -5.89 1 4 0 51 215.256 1
Lo Low (pH 4.5-6) 1.15 3.81 -46.55 2 4 1 56 216.264 1

Activity (Go SEA)

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