UCSF

ZINC37814497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 4.43 8.28 -46.27 3 3 1 48 269.453 9
Hi High (pH 8-9.5) 4.43 8.09 -6.2 2 3 0 46 268.445 9

Activity (Go SEA)

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