UCSF

ZINC33686925

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 3.30 9.8 -16.2 1 6 0 65 429.52 8
Lo Low (pH 4.5-6) 3.30 10.23 -49.02 2 6 1 67 430.528 8

Activity (Go SEA)

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