UCSF

ZINC05343738

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 30 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) 2.34 3.46 -15.4 3 8 0 108 409.442 7
Hi High (pH 8-9.5) 2.31 4.04 -48.53 1 8 -1 107 408.434 7
Hi High (pH 8-9.5) 2.31 3.81 -61.98 1 8 -1 107 408.434 7
Hi High (pH 8-9.5) 2.34 4.48 -46.9 2 8 -1 111 408.434 7
Mid Mid (pH 6-8) 2.34 4.23 -55.41 2 8 -1 111 408.434 7

Activity (Go SEA)

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