UCSF

ZINC20219043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 23 Yes

Other Names:

MFCD03012848

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) 2.54 8.91 -43.49 2 5 1 50 311.409 3
Mid Mid (pH 6-8) 2.54 6.55 -9.99 1 5 0 48 310.401 3

Activity (Go SEA)

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