UCSF

ZINC36296996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) -0.60 -1.63 -53.1 4 6 1 98 278.379 2
Hi High (pH 8-9.5) -0.14 -4.08 -41.92 2 6 -1 99 276.363 2
Mid Mid (pH 6-8) -0.14 -3.77 -70.78 3 6 0 101 277.371 2

Activity (Go SEA)

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