UCSF

ZINC20077835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 2.32 3.24 -48.05 3 3 1 46 275.166 5
Hi High (pH 8-9.5) 2.32 1.74 -7.64 2 3 0 41 274.158 5

Activity (Go SEA)

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