UCSF

ZINC15934596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 19 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) 2.00 7.5 -11.43 1 4 0 49 257.337 1
Lo Low (pH 4.5-6) 2.00 7.99 -44.76 2 4 1 50 258.345 1

Activity (Go SEA)

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