UCSF

ZINC37049209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -1.03 1.56 -49.51 3 5 1 54 257.402 5
Lo Low (pH 4.5-6) -1.03 3.26 -107.98 4 5 2 56 258.41 5

Activity (Go SEA)

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