UCSF

ZINC41678990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 4.71 6.76 -6.18 1 2 0 36 313.264 3
Lo Low (pH 4.5-6) 4.71 8.06 -45.45 2 2 1 40 314.272 3

Activity (Go SEA)

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