UCSF

ZINC20496051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 13 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) 0.70 6.35 -41.79 1 3 1 25 183.275 1
Hi High (pH 8-9.5) 0.70 3.83 -8.37 0 3 0 24 182.267 1

Activity (Go SEA)

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