UCSF

ZINC04314424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.73 11.31 -15.48 0 8 0 75 333.392 5
Mid Mid (pH 6-8) 1.73 11.78 -34.78 1 8 1 77 334.4 5

Activity (Go SEA)

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