UCSF

ZINC41689814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.59 1.09 -3.74 2 5 0 56 326.481 6
Mid Mid (pH 6-8) 1.59 3.14 -36.07 3 5 1 57 327.489 6
Mid Mid (pH 6-8) 1.59 3.44 -32.65 3 5 1 57 327.489 6

Activity (Go SEA)

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