UCSF

ZINC28948732

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 13 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) 1.76 3.48 -48.12 1 4 -1 69 179.199 1
Lo Low (pH 4.5-6) 1.76 3.61 -40.9 2 4 0 70 180.207 1

Activity (Go SEA)

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