UCSF

ZINC28925733

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 22 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) 3.03 7.01 -57.65 4 4 1 69 364.263 7
Hi High (pH 8-9.5) 3.03 5.74 -15.35 3 4 0 64 363.255 7

Activity (Go SEA)

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