UCSF

ZINC20589725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 28 Yes

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) 4.65 7.26 -10.38 1 6 0 61 396.516 4
Ref Reference (pH 7) 4.09 8.23 -17.64 1 6 0 58 396.516 5
Mid Mid (pH 6-8) 3.91 8.06 -35.88 1 6 0 65 396.516 5
Lo Low (pH 4.5-6) 4.09 10.39 -50.22 2 6 1 59 397.524 5

Activity (Go SEA)

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