UCSF

ZINC31914700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.47 7.19 -14.16 1 3 0 38 252.317 3
Mid Mid (pH 6-8) 3.47 7.61 -27.54 2 3 1 39 253.325 3

Activity (Go SEA)

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