UCSF

ZINC06465545

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 22 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) 3.42 9.29 -14.73 1 4 0 46 331.828 4
Mid Mid (pH 6-8) 3.42 9.73 -39.06 2 4 1 48 332.836 4

Activity (Go SEA)

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