UCSF

ZINC36783499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.10 6.52 -45.47 3 2 1 31 261.433 7
Mid Mid (pH 6-8) 3.10 8.24 -30.74 3 2 1 30 261.433 7
Mid Mid (pH 6-8) 3.10 8.6 -121.9 4 2 2 32 262.441 7

Activity (Go SEA)

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