UCSF

ZINC38435372

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 16 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) 2.69 6.37 -48.88 3 2 1 33 211.288 1
Hi High (pH 8-9.5) 2.69 5.96 -6.37 2 2 0 31 210.28 1

Activity (Go SEA)

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