UCSF

ZINC50808442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 22 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) 2.91 5.58 -40.71 1 5 -1 70 318.422 4
Mid Mid (pH 6-8) 2.46 6.83 -11.92 2 5 0 67 319.43 4

Activity (Go SEA)

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