UCSF

ZINC31997565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 3.73 7.95 -53.99 0 4 -1 62 278.287 3
Lo Low (pH 4.5-6) 3.73 8.02 -51.11 1 4 0 63 279.295 3

Activity (Go SEA)

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