UCSF

ZINC02721495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 4.31 -0.72 -14.33 1 4 0 46 335.451 8
Mid Mid (pH 6-8) 0.90 -0.56 -36.98 2 4 1 48 336.459 8

Activity (Go SEA)

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