UCSF

ZINC31972409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.17 2.93 -55.1 1 7 -1 99 277.256 4
Lo Low (pH 4.5-6) 0.17 1.81 -18.66 2 7 0 96 278.264 4

Activity (Go SEA)

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