UCSF

ZINC43970640

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 1.02 4.84 -86.27 3 4 2 34 257.422 4
Hi High (pH 8-9.5) 1.02 4.02 -35.89 2 4 1 29 256.414 4
Hi High (pH 8-9.5) 1.02 3.61 -33 2 4 1 29 256.414 4
Mid Mid (pH 6-8) 1.02 5.75 -94.49 3 4 2 30 257.422 4

Activity (Go SEA)

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