UCSF

ZINC45702852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.57 4.61 -74.46 2 6 0 91 320.436 8
Hi High (pH 8-9.5) 1.57 4.74 -77.91 1 6 -1 93 319.428 8
Hi High (pH 8-9.5) 1.57 2.37 -51.24 1 6 -1 90 319.428 8

Activity (Go SEA)

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