UCSF

ZINC48991951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 1.77 5.69 -98.83 4 3 2 35 281.469 5
Hi High (pH 8-9.5) 1.77 3.43 -43.64 3 3 1 34 280.461 5
Hi High (pH 8-9.5) 1.77 3.25 -2.81 2 3 0 32 279.453 5
Hi High (pH 8-9.5) 1.77 5.53 -32.5 3 3 1 34 280.461 5

Activity (Go SEA)

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