UCSF

ZINC32106699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.73 -0.38 -50.62 3 5 1 62 252.338 6
Hi High (pH 8-9.5) -0.73 -1.78 -9.43 2 5 0 58 251.33 6
Lo Low (pH 4.5-6) -0.73 0.55 -42.21 3 5 1 59 252.338 6
Lo Low (pH 4.5-6) -0.73 0.95 -85.8 4 5 2 60 253.346 6

Activity (Go SEA)

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