UCSF

ZINC51770436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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) 2.70 4.1 -43.49 2 4 1 56 236.27 3
Hi High (pH 8-9.5) 2.70 2.81 -5.97 1 4 0 51 235.262 3

Activity (Go SEA)

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