UCSF

ZINC42456470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.41 3.77 -39.97 3 2 1 31 201.378 7
Mid Mid (pH 6-8) 2.41 6.01 -120.43 4 2 2 32 202.386 7
Mid Mid (pH 6-8) 2.41 5.8 -29.16 3 2 1 30 201.378 7

Activity (Go SEA)

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