UCSF

ZINC31932968

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 28 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) 1.77 8.66 -48.24 3 7 1 80 388.467 7
Hi High (pH 8-9.5) 1.77 6.45 -15.82 2 7 0 79 387.459 7

Activity (Go SEA)

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