UCSF

ZINC37047081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 2.40 3.68 -43.29 4 3 1 57 337.035 3
Hi High (pH 8-9.5) 2.40 3.38 -6.18 3 3 0 55 336.027 3

Activity (Go SEA)

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