UCSF

ZINC08101140

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.72 -18.87 -292.24 19 15 4 289 488.535 6
Hi High (pH 8-9.5) -5.72 -20.16 -46.54 16 15 1 284 485.511 6
Hi High (pH 8-9.5) -5.72 -20.45 -15.92 15 15 0 283 484.503 6
Hi High (pH 8-9.5) -5.72 -20.1 -55.91 16 15 1 284 485.511 6
Mid Mid (pH 6-8) -5.72 -19.37 -184.48 18 15 3 287 487.527 6

Activity (Go SEA)

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