UCSF

ZINC20736061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 2.27 7.64 -16.65 1 7 0 85 361.405 5
Ref Reference (pH 7) 2.09 10.42 -14.26 1 7 0 82 361.405 5

Activity (Go SEA)

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