UCSF

ZINC03050621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 2.37 2.62 -18.67 3 8 0 109 436.262 7
Mid Mid (pH 6-8) 2.37 3.25 -51.46 2 8 -1 112 435.254 7

Activity (Go SEA)

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