UCSF

ZINC31909413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 3.76 8.76 -11.32 2 4 0 47 332.451 7
Mid Mid (pH 6-8) 3.76 10.98 -40.49 3 4 1 48 333.459 7
Mid Mid (pH 6-8) 3.76 9.17 -26.19 3 4 1 48 333.459 7
Lo Low (pH 4.5-6) 3.76 11.39 -88.84 4 4 2 49 334.467 7

Activity (Go SEA)

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