UCSF

ZINC36754679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.88 3.77 -44.67 3 4 1 51 254.398 2
Lo Low (pH 4.5-6) 0.88 5.95 -107.6 4 4 2 52 255.406 2

Activity (Go SEA)

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