UCSF

ZINC58370301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 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) 0.81 3.77 -45.66 2 6 1 59 307.418 7
Hi High (pH 8-9.5) 0.81 1.5 -13.45 1 6 0 58 306.41 7
Hi High (pH 8-9.5) 0.81 3.77 -49.58 2 6 1 59 307.418 7

Activity (Go SEA)

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