UCSF

ZINC08709103

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 25 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) 1.19 -5.05 -13.86 2 8 0 98 343.339 6
Lo Low (pH 4.5-6) 1.19 -4.48 -44.04 3 8 1 100 344.347 6

Activity (Go SEA)

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