UCSF

ZINC70516974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.67 2.47 -38.18 3 5 1 65 298.403 10
Hi High (pH 8-9.5) 2.67 1.19 -7.39 2 5 0 60 297.395 10

Activity (Go SEA)

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