UCSF

ZINC19919943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.40 7.69 -41.5 3 2 1 37 256.369 6
Mid Mid (pH 6-8) 3.40 6.77 -6.79 2 2 0 32 255.361 6

Activity (Go SEA)

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