UCSF

ZINC16971232

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 32 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) 1.17 2.41 -68.44 1 9 -1 127 459.5 8
Mid Mid (pH 6-8) 1.62 3.94 -14.82 2 9 0 124 460.508 7

Activity (Go SEA)

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