UCSF

ZINC28218193

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 19 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) 3.00 6.36 -5.15 2 2 0 29 252.361 1
Mid Mid (pH 6-8) 3.00 8.8 -40.8 3 2 1 30 253.369 1

Activity (Go SEA)

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