UCSF

ZINC13308475

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 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) -0.40 -1.56 -57.19 2 7 -1 115 291.33 6

Activity (Go SEA)

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