UCSF

ZINC59947072

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 14 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) -0.28 2.88 -168.17 7 3 3 60 202.366 6
Mid Mid (pH 6-8) -0.28 2.49 -87.41 6 3 2 58 201.358 6
Mid Mid (pH 6-8) -0.28 0.64 -91.65 6 3 2 59 201.358 6

Activity (Go SEA)

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