UCSF

ZINC19637338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 14 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) 1.91 5.71 -32.38 1 2 1 8 197.346 1
Lo Low (pH 4.5-6) 1.91 5.86 -33.88 1 2 1 8 197.346 1

Activity (Go SEA)

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