UCSF

ZINC40058576

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 6.84 15.7 -14.28 0 6 0 73 482.58 7
Mid Mid (pH 6-8) 6.84 16.08 -34.29 1 6 1 74 483.588 7

Activity (Go SEA)

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