UCSF

ZINC31933037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.33 12.29 -43.42 1 3 1 22 294.422 4
Mid Mid (pH 6-8) 4.33 10.17 -23.99 1 3 1 22 294.422 4
Mid Mid (pH 6-8) 4.33 9.75 -9.78 0 3 0 21 293.414 4
Mid Mid (pH 6-8) 4.33 12.71 -90.34 2 3 2 23 295.43 4

Activity (Go SEA)

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