UCSF

ZINC37810953

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) 1.30 5.86 -48.49 3 6 1 94 266.321 6
Hi High (pH 8-9.5) 1.30 5.53 -8.88 2 6 0 92 265.313 6

Activity (Go SEA)

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