UCSF

ZINC37839358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.41 5.79 -23.52 1 5 0 66 254.33 5
Hi High (pH 8-9.5) 0.43 4.74 -51.83 1 5 -1 72 253.322 5

Activity (Go SEA)

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