UCSF

ZINC34679129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 4.74 14.2 -15.21 1 7 0 65 440.979 3
Lo Low (pH 4.5-6) 4.74 14.56 -36.83 2 7 1 66 441.987 3

Activity (Go SEA)

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