UCSF

ZINC08817207

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 35 No

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) 5.48 14.28 -73.21 1 6 0 74 478.633 12
Hi High (pH 8-9.5) 5.48 11.99 -58.13 0 6 -1 73 477.625 12
Mid Mid (pH 6-8) 4.90 2.05 -42.56 1 6 1 68 479.641 12

Activity (Go SEA)

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