UCSF

ZINC02218080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 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) 5.09 10.81 -10.3 1 5 0 60 359.429 6
Mid Mid (pH 6-8) 5.09 11.15 -26.71 2 5 1 61 360.437 6

Activity (Go SEA)

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