UCSF

ZINC02721482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 3.41 9.46 -14.28 1 4 0 47 325.387 6
Mid Mid (pH 6-8) 3.41 9.75 -36.91 2 4 1 48 326.395 6

Activity (Go SEA)

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