UCSF

ZINC35680790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -1.38 2.92 -34.63 1 7 0 87 254.29 5
Mid Mid (pH 6-8) -1.38 3.03 -58.6 1 7 0 87 254.29 5
Mid Mid (pH 6-8) -1.38 0.74 -46.39 0 7 -1 86 253.282 5

Activity (Go SEA)

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