UCSF

ZINC04344450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 16 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) 0.32 7.85 -11.44 0 4 0 44 222.288 4
Mid Mid (pH 6-8) 0.32 8.37 -44.01 1 4 1 45 223.296 4

Activity (Go SEA)

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