UCSF

ZINC03896480

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) 5.15 1.83 -6.87 1 4 0 42 332.382 3
Mid Mid (pH 6-8) 1.42 2.01 -29.93 2 4 1 44 333.39 3

Activity (Go SEA)

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