UCSF

ZINC31980382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.63 8.34 -11.01 0 3 0 39 241.29 4
Lo Low (pH 4.5-6) 2.63 8.74 -37.14 1 3 1 40 242.298 4

Activity (Go SEA)

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