UCSF

ZINC31933188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 4.47 12.03 -40.84 1 3 1 22 314.84 3
Mid Mid (pH 6-8) 4.47 9.49 -7.47 0 3 0 21 313.832 3
Lo Low (pH 4.5-6) 4.47 12.45 -91.94 2 3 2 23 315.848 3

Activity (Go SEA)

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