UCSF

ZINC26509461

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 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) 1.49 3.02 -48.49 4 5 1 73 319.425 10
Hi High (pH 8-9.5) 1.49 2.64 -8.22 3 5 0 72 318.417 10
Mid Mid (pH 6-8) 1.49 4.71 -37.12 4 5 1 73 319.425 10

Activity (Go SEA)

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