UCSF

ZINC03938212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 31 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) 7.60 2.92 -8.4 0 1 0 12 403.5 3
Lo Low (pH 4.5-6) 7.60 3.04 -28.51 1 1 1 14 404.508 3

Activity (Go SEA)

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