UCSF

ZINC37023291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.73 3.29 -44.48 4 4 1 66 251.35 6
Hi High (pH 8-9.5) 0.73 2.96 -8.93 3 4 0 64 250.342 6

Activity (Go SEA)

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