UCSF

ZINC16741324

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 3.06 5.94 -15.85 2 7 0 96 421.449 9
Mid Mid (pH 6-8) 2.48 6.64 -22.08 1 7 0 93 421.449 9

Activity (Go SEA)

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