UCSF

ZINC35499739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 5.93 16.56 -7.18 0 3 0 32 459.515 9
Mid Mid (pH 6-8) 5.93 17.04 -52.78 1 3 1 33 460.523 9

Activity (Go SEA)

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