UCSF

ZINC04964317

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 28 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) 3.99 7.14 -13.86 1 6 0 79 402.516 6
Hi High (pH 8-9.5) 3.99 6.63 -47.14 0 6 -1 82 401.508 6
Hi High (pH 8-9.5) 3.99 8.06 -56.31 0 6 -1 82 401.508 6
Lo Low (pH 4.5-6) 3.99 6.14 -41.25 2 6 1 81 403.524 6
Lo Low (pH 4.5-6) 3.99 7.5 -11.84 2 6 0 81 403.524 6

Activity (Go SEA)

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