UCSF

ZINC09123119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 31 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) 3.59 9.08 -58.43 0 7 -1 92 500.35 6
Mid Mid (pH 6-8) 4.03 7.92 -22.21 1 7 0 89 501.358 5

Activity (Go SEA)

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