UCSF

ZINC19637201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 15 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) 2.43 6.36 -31.57 1 2 1 8 213.389 5
Mid Mid (pH 6-8) 2.43 6.73 -33.47 1 2 1 8 213.389 5

Activity (Go SEA)

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