UCSF

ZINC09244229

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 2.99 9.44 -59.42 0 8 -1 115 409.418 8
Mid Mid (pH 6-8) 3.44 0.28 -13.51 1 8 0 112 410.426 7

Activity (Go SEA)

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