UCSF

ZINC00973059

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) 3.45 6.52 -39.64 0 8 -1 116 390.422 6
Mid Mid (pH 6-8) 4.37 6.76 -14.15 1 8 0 117 391.43 5

Activity (Go SEA)

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