UCSF

ZINC32110831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 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) 1.14 0.42 -54.02 5 3 1 60 260.155 4
Hi High (pH 8-9.5) 1.14 0.04 -5.72 4 3 0 58 259.147 4

Activity (Go SEA)

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