UCSF

ZINC20434069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.56 1.51 -48.53 4 4 1 66 300.176 2
Hi High (pH 8-9.5) 1.56 0.15 -11.76 3 4 0 61 299.168 2

Activity (Go SEA)

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