UCSF

ZINC37042873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.95 6.56 -39.95 3 3 1 46 301.332 4
Hi High (pH 8-9.5) 2.95 5.24 -8.12 2 3 0 41 300.324 4

Activity (Go SEA)

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