UCSF

ZINC19842255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 26 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) 3.90 9.81 -41.04 1 4 1 26 355.502 8
Mid Mid (pH 6-8) 3.90 7.5 -5.69 0 4 0 25 354.494 8

Activity (Go SEA)

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