UCSF

ZINC34628075

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 2.14 8.75 -55.38 2 4 0 60 258.321 3
Hi High (pH 8-9.5) 2.14 7 -48 1 4 -1 59 257.313 3

Activity (Go SEA)

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