UCSF

ZINC38229221

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 18 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) 3.70 5.48 -7.03 1 3 0 39 309.159 4
Hi High (pH 8-9.5) 3.70 6.23 -42.14 0 3 -1 42 308.151 4

Activity (Go SEA)

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