UCSF

ZINC31973112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 No

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) 2.78 10.21 -53.23 0 7 -1 103 322.3 4
Lo Low (pH 4.5-6) 2.78 10.62 -57.37 1 7 0 105 323.308 4

Activity (Go SEA)

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