UCSF

ZINC05445698

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 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) 3.00 5.02 -54.21 1 5 -1 78 387.209 4
Mid Mid (pH 6-8) 3.44 -2.75 -17.01 2 5 0 75 388.217 3
Mid Mid (pH 6-8) 2.42 -2.95 -11.84 1 5 0 72 388.217 4

Activity (Go SEA)

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