UCSF

ZINC65591158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 14 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) 1.58 6.48 -39.08 1 3 1 21 212.342 2
Mid Mid (pH 6-8) 1.58 4.26 -4.92 0 3 0 19 211.334 2
Lo Low (pH 4.5-6) 1.58 6.88 -85.43 2 3 2 22 213.35 2

Activity (Go SEA)

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