UCSF

ZINC45691874

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.48 6.75 -39.49 1 3 1 31 212.361 9
Mid Mid (pH 6-8) 1.48 6.39 -43.97 1 3 1 31 212.361 9
Mid Mid (pH 6-8) 1.48 8.87 -117.11 2 3 2 33 213.369 9

Activity (Go SEA)

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