UCSF

ZINC20029290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.51 6.93 -57.67 0 8 -1 91 483.516 9
Mid Mid (pH 6-8) 2.51 9.27 -74.86 1 8 0 93 484.524 9
Lo Low (pH 4.5-6) 2.51 8.45 -54.43 2 8 1 90 485.532 9

Activity (Go SEA)

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