UCSF

ZINC02721404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) 3.34 -0.77 -16.16 1 4 0 46 307.397 5
Mid Mid (pH 6-8) -0.07 -0.61 -36.28 2 4 1 48 308.405 5

Activity (Go SEA)

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