UCSF

ZINC20124275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 4.10 4.47 -41.61 4 3 1 57 292.786 4
Hi High (pH 8-9.5) 4.10 3.29 -9.89 3 3 0 52 291.778 4

Activity (Go SEA)

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