UCSF

ZINC11914460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 30 No

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) 4.63 1.17 -10.27 1 5 0 67 409.457 9
Mid Mid (pH 6-8) 4.05 1.05 -16.42 0 5 0 64 409.457 9

Activity (Go SEA)

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