UCSF

ZINC01037256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 26 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) 4.43 9.77 -11.63 0 6 0 66 359.422 6
Mid Mid (pH 6-8) -2.55 3.34 -27.05 3 8 0 107 222.208 2

Activity (Go SEA)

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