UCSF

ZINC37030031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.18 0.49 -55.19 6 6 1 109 266.321 7
Hi High (pH 8-9.5) 0.18 0.16 -21.32 5 6 0 107 265.313 7

Activity (Go SEA)

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