UCSF

ZINC04157255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 33 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) 6.88 4.21 -20.65 1 6 0 68 445.563 8
Mid Mid (pH 6-8) 6.88 4.34 -26.45 2 6 1 70 446.571 8

Activity (Go SEA)

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