UCSF

ZINC33824069

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 1.05 4.97 -77.34 1 7 0 82 427.526 2
Lo Low (pH 4.5-6) 1.05 4.8 -59.22 2 7 1 80 428.534 2

Activity (Go SEA)

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