UCSF

ZINC24985376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 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) 1.31 5.52 -44.44 4 8 1 101 412.514 5
Hi High (pH 8-9.5) 1.31 5.05 -15.98 3 8 0 99 411.506 5
Mid Mid (pH 6-8) 1.31 6.24 -54.59 4 8 1 104 412.514 5

Activity (Go SEA)

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