UCSF

ZINC40162776

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) 1.99 2.89 -12.12 3 5 0 68 311.813 5
Mid Mid (pH 6-8) 1.99 5.16 -45.11 4 5 1 69 312.821 5

Activity (Go SEA)

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