UCSF

ZINC59692204

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 3.80 8.62 -2.83 0 1 0 3 189.302 3
Lo Low (pH 4.5-6) 3.80 8.86 -28.76 1 1 1 4 190.31 3

Activity (Go SEA)

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