UCSF

ZINC31469789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 22 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) 0.73 0.31 -37.39 5 6 1 100 320.291 8
Mid Mid (pH 6-8) 0.73 -1.5 -11.48 4 6 0 99 319.283 8

Activity (Go SEA)

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