UCSF

ZINC02721342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 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) 4.26 -0.49 -10.18 1 4 0 46 359.832 5
Mid Mid (pH 6-8) 0.85 -0.27 -29.55 2 4 1 48 360.84 5

Activity (Go SEA)

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