UCSF

ZINC09059670

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 34 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) 4.47 11.75 -35.76 2 8 0 102 473.558 8
Mid Mid (pH 6-8) 4.15 -1.91 -62.19 2 8 1 101 474.566 8

Activity (Go SEA)

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