UCSF

ZINC19837752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 3.80 5.81 -12.17 1 3 0 41 255.745 5
Mid Mid (pH 6-8) 3.80 6.62 -49.25 0 3 -1 43 254.737 5

Activity (Go SEA)

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