UCSF

ZINC04267300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 3.48 12.09 -33.5 1 5 1 43 349.458 4
Mid Mid (pH 6-8) 3.48 12.91 -78.57 2 5 2 44 350.466 4

Activity (Go SEA)

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