UCSF

ZINC29329715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 27 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) 3.56 7.53 -41.72 3 5 1 65 374.501 13
Hi High (pH 8-9.5) 3.56 6.24 -8.16 2 5 0 60 373.493 13

Activity (Go SEA)

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