UCSF

ZINC29696995

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 27 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) 4.43 11.44 -51.04 2 3 1 34 442.299 8
Hi High (pH 8-9.5) 4.43 9.24 -8.61 1 3 0 32 441.291 8

Activity (Go SEA)

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