UCSF

ZINC31962554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.10 3.43 -91.06 5 6 2 77 293.415 6
Mid Mid (pH 6-8) 0.10 1.06 -52.91 4 6 1 76 292.407 6
Lo Low (pH 4.5-6) 0.10 3.73 -161.8 6 6 3 79 294.423 6

Activity (Go SEA)

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