UCSF

ZINC51791684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 23 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) 1.11 7.84 -40.95 1 6 1 64 318.397 7
Hi High (pH 8-9.5) 1.11 5.79 -16.34 0 6 0 63 317.389 7

Activity (Go SEA)

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