UCSF

ZINC22753375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 36 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) 2.65 6.85 -48.12 0 10 -1 104 493.54 8
Mid Mid (pH 6-8) 2.65 7.65 -21.16 1 10 0 102 494.548 8
Lo Low (pH 4.5-6) 2.65 9.05 -60.12 1 10 0 105 494.548 8
Lo Low (pH 4.5-6) 2.65 9.86 -65.94 2 10 1 103 495.556 8

Activity (Go SEA)

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