UCSF

ZINC35693647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 0.60 2.76 -46.91 4 4 1 70 236.339 5
Mid Mid (pH 6-8) 0.60 2.48 -7.2 3 4 0 68 235.331 5
Lo Low (pH 4.5-6) 0.60 3.21 -92.49 5 4 2 71 237.347 5

Activity (Go SEA)

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