UCSF

ZINC31897624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.95 13.41 -53.5 1 4 1 39 425.405 6
Mid Mid (pH 6-8) 4.95 11.25 -12.21 0 4 0 38 424.397 6

Activity (Go SEA)

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