UCSF

ZINC16954779

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 30 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) 4.05 8.85 -14.89 1 7 0 78 420.494 7
Mid Mid (pH 6-8) 4.05 9.29 -36.92 2 7 1 79 421.502 7

Activity (Go SEA)

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