UCSF

ZINC19880389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 2.92 10.77 -125.1 0 6 -2 101 389.407 8
Lo Low (pH 4.5-6) 2.92 10 -59.71 1 6 -1 98 390.415 8

Activity (Go SEA)

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