UCSF

ZINC25965734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 2.31 6.18 -16.56 1 6 0 75 328.397 4
Mid Mid (pH 6-8) 2.31 6.14 -55.37 0 6 -1 77 327.389 4
Lo Low (pH 4.5-6) 2.31 6.35 -44.53 2 6 1 76 329.405 4

Activity (Go SEA)

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