UCSF

ZINC20523911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 1.55 5.94 -103.35 3 3 2 24 251.418 2
Mid Mid (pH 6-8) 1.55 8.25 -83.1 3 3 2 21 251.418 2
Mid Mid (pH 6-8) 1.55 5.87 -36.39 2 3 1 20 250.41 2
Lo Low (pH 4.5-6) 1.55 8.31 -187.95 4 3 3 25 252.426 2

Activity (Go SEA)

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