UCSF

ZINC49376222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) -0.10 0.71 -18.38 1 5 0 66 284.381 3
Mid Mid (pH 6-8) -0.10 2.99 -55.57 2 5 1 68 285.389 3

Activity (Go SEA)

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