UCSF

ZINC36353061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 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) 2.86 8.38 -13.37 1 6 0 77 347.374 4
Ref Reference (pH 7) 2.68 11.04 -13.65 1 6 0 73 347.374 4
Lo Low (pH 4.5-6) 2.68 11.5 -49.12 2 6 1 74 348.382 4

Activity (Go SEA)

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