UCSF

ZINC52454618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 3.61 8.71 -108.13 3 2 2 21 216.413 9

Activity (Go SEA)

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