UCSF

ZINC32721313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 23 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) 5.11 5.77 -44.84 1 5 -1 78 347.803 3
Hi High (pH 8-9.5) 4.25 3.91 -47.12 1 5 -1 78 347.803 4
Hi High (pH 8-9.5) 4.18 6.31 -44.85 1 5 -1 74 347.803 4
Mid Mid (pH 6-8) 4.18 5.64 -17.17 2 5 0 71 348.811 4
Mid Mid (pH 6-8) 4.25 5.4 -97.61 0 5 -2 81 346.795 4

Activity (Go SEA)

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