UCSF

ZINC31909927

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) 2.84 9.35 -44.09 2 4 1 34 293.394 3
Mid Mid (pH 6-8) 2.84 6.81 -11.99 1 4 0 33 292.386 3
Lo Low (pH 4.5-6) 2.84 9.77 -89.69 3 4 2 35 294.402 3

Activity (Go SEA)

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