UCSF

ZINC45135303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 13 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 5.17 -28.83 2 2 1 16 183.319 3
Lo Low (pH 4.5-6) 1.55 6.34 -103.3 3 2 2 21 184.327 3
Lo Low (pH 4.5-6) 1.55 4.23 -35.4 2 2 1 20 183.319 3

Activity (Go SEA)

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