UCSF

ZINC19533460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 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) 2.13 8.76 -42.1 1 6 1 54 386.516 5
Mid Mid (pH 6-8) 2.13 6.83 -10.61 0 6 0 53 385.508 5
Lo Low (pH 4.5-6) 2.13 11.25 -123.96 2 6 2 55 387.524 5

Activity (Go SEA)

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