UCSF

ZINC31853376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 31 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) 4.77 12.38 -11.53 0 5 0 49 452.649 7
Mid Mid (pH 6-8) 4.77 14.62 -54.49 1 5 1 51 453.657 7

Activity (Go SEA)

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