UCSF

ZINC20120708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 0.81 2.24 -36.83 2 3 1 29 187.307 4
Lo Low (pH 4.5-6) 0.81 4.22 -111.18 3 3 2 30 188.315 4

Activity (Go SEA)

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