UCSF

ZINC45691904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.56 8.67 -31.84 2 3 1 30 253.41 7
Mid Mid (pH 6-8) 2.56 8.76 -109.63 3 3 2 34 254.418 7
Mid Mid (pH 6-8) 2.56 8.54 -32.5 2 3 1 33 253.41 7

Activity (Go SEA)

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