UCSF

ZINC37799963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.33 2.78 -39.78 5 5 1 91 286.355 5
Hi High (pH 8-9.5) 1.33 2.43 -13.18 4 5 0 89 285.347 5

Activity (Go SEA)

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