UCSF

ZINC36638628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 3.37 5.25 -18.75 0 5 0 67 420.478 4
Lo Low (pH 4.5-6) 3.37 6.35 -41.77 1 5 1 68 421.486 4

Activity (Go SEA)

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