UCSF

ZINC14077047

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 22 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) 1.02 5.78 -39.05 2 6 -1 93 318.378 5
Mid Mid (pH 6-8) 1.02 5.73 -15.41 3 6 0 95 319.386 5

Activity (Go SEA)

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