UCSF

ZINC09635817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 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) 4.39 13.43 -24.93 1 7 0 91 453.535 8
Mid Mid (pH 6-8) 4.35 1.78 -13.13 0 7 0 91 453.535 8

Activity (Go SEA)

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