UCSF

ZINC32086599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 0.01 -1.1 -50.79 4 6 1 73 324.445 9
Hi High (pH 8-9.5) 0.00 0.27 -35.38 4 6 1 72 324.445 9
Mid Mid (pH 6-8) 0.01 1.04 -123.38 5 6 2 74 325.453 9
Lo Low (pH 4.5-6) 0.01 3.39 -184.18 6 6 3 75 326.461 9

Activity (Go SEA)

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