UCSF

ZINC60698977

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 20 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) 3.12 8.09 -48.59 2 2 1 26 284.37 6
Hi High (pH 8-9.5) 3.12 7.86 -3.85 1 2 0 21 283.362 6

Activity (Go SEA)

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