UCSF

ZINC37997961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.13 3.91 -37.23 2 4 1 44 238.307 5
Hi High (pH 8-9.5) 1.13 2.56 -5.65 1 4 0 40 237.299 5

Activity (Go SEA)

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