UCSF

ZINC23055207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 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) 3.86 7.63 -63.77 1 7 -1 103 447.537 8
Hi High (pH 8-9.5) 3.93 6.74 -111.27 0 7 -2 109 446.529 8
Mid Mid (pH 6-8) 3.93 5.87 -53.46 1 7 -1 107 447.537 8
Mid Mid (pH 6-8) 3.86 7.57 -26.88 2 7 0 101 448.545 8

Activity (Go SEA)

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