UCSF

ZINC08188100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 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) 0.71 6.51 -105.22 1 7 -2 119 279.248 8
Lo Low (pH 4.5-6) 0.71 4.53 -60.62 2 7 -1 116 280.256 8

Activity (Go SEA)

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