UCSF

ZINC28869711

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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) 4.28 8.36 -16.32 2 6 0 80 388.88 6
Hi High (pH 8-9.5) 4.28 8.27 -43.35 1 6 -1 78 387.872 6

Activity (Go SEA)

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