UCSF

ZINC12812410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 24 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) 4.14 9.79 -15.62 1 4 0 59 321.376 4
Mid Mid (pH 6-8) 4.21 6.61 -13.57 1 4 0 63 321.376 4

Activity (Go SEA)

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