UCSF

ZINC29699382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 28 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) 3.24 11.25 -43.73 1 5 1 43 383.512 7
Hi High (pH 8-9.5) 3.24 9.07 -11.88 0 5 0 42 382.504 7

Activity (Go SEA)

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