UCSF

ZINC47670620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 0.07 2.57 -45.8 1 5 1 55 242.324 2
Mid Mid (pH 6-8) 0.07 0.21 -9.42 0 5 0 54 241.316 2

Activity (Go SEA)

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