UCSF

ZINC31719084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 31 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) 1.94 2.67 -18.92 3 9 0 113 425.489 7
Mid Mid (pH 6-8) 1.94 3.12 -53.23 4 9 1 114 426.497 7

Activity (Go SEA)

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