UCSF

ZINC37109636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.66 5.71 -46.65 0 4 -1 60 186.231 5
Lo Low (pH 4.5-6) 0.66 3.73 -8.1 1 4 0 58 187.239 5

Activity (Go SEA)

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