UCSF

ZINC31909959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.24 10.02 -42.93 2 4 1 34 307.421 3
Mid Mid (pH 6-8) 3.24 7.47 -11.52 1 4 0 33 306.413 3
Lo Low (pH 4.5-6) 3.24 10.43 -88.81 3 4 2 35 308.429 3

Activity (Go SEA)

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