UCSF

ZINC15770089

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 2.73 6.68 -14.38 0 5 0 49 330.457 2
Lo Low (pH 4.5-6) 2.73 6.95 -40.76 1 5 1 51 331.465 2

Activity (Go SEA)

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