UCSF

ZINC15883328

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 34 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) 4.31 15.03 -14.2 0 5 0 55 455.533 5
Lo Low (pH 4.5-6) 4.31 15.19 -56.1 1 5 1 56 456.541 5

Activity (Go SEA)

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