UCSF

ZINC39379271

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 33 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) 5.11 11.32 -16.2 0 6 0 58 446.595 7
Ref Reference (pH 7) 5.11 11.62 -14.88 0 6 0 58 446.595 7
Mid Mid (pH 6-8) 5.11 13.63 -45.59 1 6 1 59 447.603 7
Mid Mid (pH 6-8) 5.11 13.95 -44.33 1 6 1 59 447.603 7

Activity (Go SEA)

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