UCSF

ZINC33317605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 29 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) 3.19 7.75 -13.52 1 7 0 79 391.427 8
Mid Mid (pH 6-8) 3.19 8.15 -38.85 2 7 1 80 392.435 8

Activity (Go SEA)

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