UCSF

ZINC37270287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) -0.30 1.3 -62.05 4 5 1 77 236.295 4
Hi High (pH 8-9.5) -0.30 0.89 -17 3 5 0 75 235.287 4

Activity (Go SEA)

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