UCSF

ZINC37997105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.58 3.3 -48.44 4 4 1 66 251.35 7
Hi High (pH 8-9.5) 1.58 1.94 -9.48 3 4 0 61 250.342 7

Activity (Go SEA)

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