UCSF

ZINC19842206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 3.59 7.86 -35.13 1 4 1 26 333.496 5
Hi High (pH 8-9.5) 3.59 5.6 -4.29 0 4 0 25 332.488 5
Mid Mid (pH 6-8) 3.59 8.02 -31.88 1 4 1 26 333.496 5

Activity (Go SEA)

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