UCSF

ZINC61652278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 0.20 5.28 -80.27 1 7 0 77 279.344 5
Hi High (pH 8-9.5) 0.20 2.8 -51.56 0 7 -1 76 278.336 5

Activity (Go SEA)

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