UCSF

ZINC16577547

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 24 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) 3.01 6.59 -13.62 1 5 0 45 325.412 4
Mid Mid (pH 6-8) 3.01 8.92 -53.71 2 5 1 46 326.42 4

Activity (Go SEA)

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