UCSF

ZINC03408037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 28 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) 4.48 11.09 -20.25 2 4 0 58 376.431 5
Mid Mid (pH 6-8) 4.62 7.12 -23.97 3 4 1 67 377.439 5
Mid Mid (pH 6-8) 4.62 6.93 -27.05 3 4 1 67 377.439 5

Activity (Go SEA)

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