UCSF

ZINC27986737

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 26 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) 0.07 5.99 -95.12 3 6 0 93 363.364 3
Mid Mid (pH 6-8) -2.67 5.03 -73.6 4 6 1 96 364.372 2

Activity (Go SEA)

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