UCSF

ZINC26522900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 Yes

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) 1.94 10.13 -123.57 0 6 -2 99 328.32 9
Mid Mid (pH 6-8) 1.94 8.95 -56.15 1 6 -1 96 329.328 9
Mid Mid (pH 6-8) 1.94 8.95 -56.22 1 6 -1 96 329.328 9

Activity (Go SEA)

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