UCSF

ZINC04969251

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 15 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) 0.18 1.67 -47.2 3 5 1 68 230.313 6
Hi High (pH 8-9.5) 0.74 -0.47 -11.38 2 5 0 66 229.305 5
Mid Mid (pH 6-8) 0.00 0.43 -38.25 2 5 0 74 229.305 6

Activity (Go SEA)

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