UCSF

ZINC42912992

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.87 6.27 -39.38 3 2 1 31 263.449 8
Mid Mid (pH 6-8) 3.87 8.47 -30.95 3 2 1 30 263.449 8

Activity (Go SEA)

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