UCSF

ZINC24222463

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 23 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) 3.12 5.02 -61.34 0 5 -1 70 327.385 4
Mid Mid (pH 6-8) 3.12 5.54 -41.44 1 5 0 72 328.393 4
Mid Mid (pH 6-8) 3.12 5 -14.66 1 5 0 68 328.393 4

Activity (Go SEA)

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