UCSF

ZINC31933035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 4.24 12.1 -43.45 1 3 1 22 294.422 3
Mid Mid (pH 6-8) 4.24 12.51 -90.27 2 3 2 23 295.43 3
Mid Mid (pH 6-8) 4.24 9.57 -10.3 0 3 0 21 293.414 3

Activity (Go SEA)

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