UCSF

ZINC32156382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.54 5.29 -36.58 3 4 1 55 294.415 8
Hi High (pH 8-9.5) 2.54 4.04 -6.67 2 4 0 51 293.407 8

Activity (Go SEA)

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