UCSF

ZINC37825491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.26 9.28 -163.81 4 5 3 46 303.515 12
Hi High (pH 8-9.5) 1.26 8.25 -91.48 3 5 2 41 302.507 12

Activity (Go SEA)

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