UCSF

ZINC04155303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 5.66 -0.49 -9.94 1 5 0 47 430.346 5
Mid Mid (pH 6-8) 5.66 -0.18 -23.42 2 5 1 49 431.354 5

Activity (Go SEA)

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