UCSF

ZINC42763720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.83 4.7 -6.66 0 2 0 16 252.667 5
Mid Mid (pH 6-8) 2.83 6.75 -45.95 1 2 1 17 253.675 5

Activity (Go SEA)

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