UCSF

ZINC34991153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.18 9.56 -45.7 2 2 1 26 270.396 6
Mid Mid (pH 6-8) 4.18 8.2 -4.65 1 2 0 21 269.388 6

Activity (Go SEA)

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