UCSF

ZINC59129319

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 23 No

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) 7.87 13.83 -32.66 1 2 1 8 327.621 18
Mid Mid (pH 6-8) 7.87 13.97 -31.95 1 2 1 8 327.621 18
Mid Mid (pH 6-8) 7.87 16.28 -102.97 2 2 2 9 328.629 18

Activity (Go SEA)

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