UCSF

ZINC42784652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) -0.72 -3.59 -10.28 4 9 0 145 348.359 5
Mid Mid (pH 6-8) -0.72 -2.16 -49.19 5 9 1 139 349.367 5
Mid Mid (pH 6-8) -0.72 -3.58 -11.57 4 9 0 145 348.359 5

Activity (Go SEA)

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