UCSF

ZINC02294817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 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) 2.83 -2.9 -6.79 1 7 0 75 333.436 6
Mid Mid (pH 6-8) -1.22 -2.65 -34.09 2 7 1 78 334.444 5

Activity (Go SEA)

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