UCSF

ZINC36638781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 No

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) 3.26 8.18 -22.9 1 7 0 94 472.636 4
Lo Low (pH 4.5-6) 3.26 8.63 -44.52 2 7 1 95 473.644 4

Activity (Go SEA)

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