UCSF

ZINC43070513

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 23 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) 4.61 8.75 -8.95 2 4 0 50 372.266 3
Lo Low (pH 4.5-6) 4.61 9.13 -26.67 3 4 1 51 373.274 3

Activity (Go SEA)

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