UCSF

ZINC19853958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 36 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) 1.09 7.42 -24.28 1 10 0 100 495.58 10
Mid Mid (pH 6-8) 1.09 7.9 -54.77 2 10 1 101 496.588 10

Activity (Go SEA)

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