UCSF

ZINC36780374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.90 5.42 -39.42 3 4 1 46 276.404 6
Lo Low (pH 4.5-6) 1.90 6.59 -116.98 4 4 2 50 277.412 6

Activity (Go SEA)

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