UCSF

ZINC08195537

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 17 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) 2.09 -3.26 -11.23 1 5 0 64 259.327 6
Hi High (pH 8-9.5) 2.09 -2.68 -43.48 0 5 -1 66 258.319 6

Activity (Go SEA)

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