UCSF

ZINC03957514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 29 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) 6.04 11.03 -51.91 1 4 -1 73 379.391 2
Hi High (pH 8-9.5) 6.04 11.72 -112.11 0 4 -2 76 378.383 2
Hi High (pH 8-9.5) 6.04 11.81 -110.49 0 4 -2 76 378.383 2
Mid Mid (pH 6-8) 6.04 10.24 -18.13 2 4 0 71 380.399 2
Mid Mid (pH 6-8) 6.04 10.47 -14.73 2 4 0 71 380.399 2

Activity (Go SEA)

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