UCSF

ZINC20499996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 22 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) 2.18 5.49 -41.93 2 6 1 63 326.804 5
Mid Mid (pH 6-8) 2.18 3.29 -12.42 1 6 0 62 325.796 5
Mid Mid (pH 6-8) 2.18 5.68 -40.78 2 6 1 63 326.804 5

Activity (Go SEA)

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