UCSF

ZINC00754531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 24 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) 3.84 10.38 -42.23 0 4 -1 70 386.221 4
Mid Mid (pH 6-8) 3.84 9.02 -13.06 1 4 0 68 387.229 4
Lo Low (pH 4.5-6) 3.84 9.92 -21.76 1 4 0 68 387.229 4

Activity (Go SEA)

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