UCSF

ZINC32108519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 0.05 0.1 -55.55 4 5 1 76 256.322 7
Hi High (pH 8-9.5) 0.05 -0.39 -10.39 3 5 0 74 255.314 7

Activity (Go SEA)

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