UCSF

ZINC31087672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 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) 3.34 7.07 -54.01 3 5 1 49 361.416 5
Mid Mid (pH 6-8) 3.34 4.69 -12.26 2 5 0 48 360.408 5

Activity (Go SEA)

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