UCSF

ZINC35662007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 No

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) 1.89 4.77 -47.46 4 6 1 84 335.211 5
Hi High (pH 8-9.5) 1.89 3.33 -17.57 3 6 0 79 334.203 5

Activity (Go SEA)

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