UCSF

ZINC32719787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 22 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) 4.73 4.85 -45.19 1 5 -1 78 333.776 2
Hi High (pH 8-9.5) 3.87 2.99 -47.38 1 5 -1 78 333.776 3
Hi High (pH 8-9.5) 3.81 5.38 -45.17 1 5 -1 74 333.776 3
Mid Mid (pH 6-8) 3.81 4.71 -17.41 2 5 0 71 334.784 3
Mid Mid (pH 6-8) 3.87 4.48 -97.88 0 5 -2 81 332.768 3

Activity (Go SEA)

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