UCSF

ZINC24964598

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 19 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) 1.58 2.3 -43.38 1 5 -1 77 287.336 5
Mid Mid (pH 6-8) 1.58 2.29 -12.18 2 5 0 75 288.344 5

Activity (Go SEA)

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