UCSF

ZINC42201238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 36 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) 4.29 15.69 -99.34 6 8 2 100 490.7 7
Lo Low (pH 4.5-6) 4.29 15.92 -173.64 7 8 3 101 491.708 7

Activity (Go SEA)

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