UCSF

ZINC37788306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 4.23 9.56 -39.56 2 3 1 43 361.325 6
Hi High (pH 8-9.5) 4.23 8.65 -5.66 1 3 0 38 360.317 6

Activity (Go SEA)

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