UCSF

ZINC34931264

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.73 7.78 -11.89 2 7 0 74 438.572 8
Mid Mid (pH 6-8) 3.73 10.02 -49.78 3 7 1 75 439.58 8

Activity (Go SEA)

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