UCSF

ZINC37652467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 16 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) 0.64 4.5 -19.09 1 4 0 66 211.224 2
Lo Low (pH 4.5-6) 0.64 4.97 -52.58 2 4 1 67 212.232 2

Activity (Go SEA)

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