UCSF

ZINC32103548

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) 0.20 5.85 -50.13 0 5 -1 73 247.274 7
Lo Low (pH 4.5-6) 0.20 6.28 -69.25 1 5 0 75 248.282 7
Lo Low (pH 4.5-6) 0.20 4.73 -11.81 1 5 0 71 248.282 7

Activity (Go SEA)

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