UCSF

ZINC45261543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 21 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) 2.67 10.03 -206.54 0 6 -3 120 283.215 4
Lo Low (pH 4.5-6) 2.67 7.92 -101.9 1 6 -2 118 284.223 4
Lo Low (pH 4.5-6) 2.67 8.05 -121.48 1 6 -2 118 284.223 4

Activity (Go SEA)

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