UCSF

ZINC19370254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 1.07 2.75 -51.26 3 3 1 34 258.389 2
Mid Mid (pH 6-8) 1.07 4.89 -127.57 4 3 2 35 259.397 2
Mid Mid (pH 6-8) 1.07 4.62 -38.54 3 3 1 34 258.389 2

Activity (Go SEA)

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