UCSF

ZINC34699417

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 1.63 9.55 -56.44 2 6 1 63 303.777 1
Hi High (pH 8-9.5) 1.63 8.23 -8.73 1 6 0 58 302.769 1

Activity (Go SEA)

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