UCSF

ZINC25357785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 33 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) 4.93 9.53 -13.79 1 5 0 54 437.543 6
Mid Mid (pH 6-8) 5.00 8.11 -46.79 2 5 1 60 438.551 6
Mid Mid (pH 6-8) 5.00 10.25 -47.92 2 5 1 59 438.551 6

Activity (Go SEA)

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