UCSF

ZINC31997595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.52 8.12 -51.64 0 5 -1 71 308.313 4
Lo Low (pH 4.5-6) 3.52 8.14 -48.71 1 5 0 73 309.321 4

Activity (Go SEA)

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