UCSF

ZINC21066129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 1.11 3.99 -18.34 2 7 0 95 336.417 5
Hi High (pH 8-9.5) 1.57 1.23 -57.45 1 7 -1 98 335.409 5

Activity (Go SEA)

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