UCSF

ZINC31963976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -0.07 1.35 -70.97 5 6 1 95 282.295 4
Hi High (pH 8-9.5) -0.07 0.96 -22.27 4 6 0 93 281.287 4

Activity (Go SEA)

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