UCSF

ZINC30031079

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.93 4.42 -49.66 5 8 1 105 369.449 5
Mid Mid (pH 6-8) 0.93 2.07 -15.98 4 8 0 104 368.441 5

Activity (Go SEA)

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