UCSF

ZINC35430257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 0.79 9.79 -20.87 0 8 0 84 382.449 2
Mid Mid (pH 6-8) 0.79 10.27 -50.51 1 8 1 85 383.457 2

Activity (Go SEA)

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