UCSF

ZINC17028441

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 27 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) 2.45 3.83 -44.61 0 7 -1 93 365.365 5
Mid Mid (pH 6-8) 2.00 6.28 -9.39 1 7 0 90 366.373 5

Activity (Go SEA)

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