UCSF

ZINC32213231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.29 8.92 -37.61 2 3 1 33 310.465 6
Mid Mid (pH 6-8) 3.29 7.63 -3.88 1 3 0 28 309.457 6
Lo Low (pH 4.5-6) 3.29 10.1 -90.67 3 3 2 31 311.473 6
Lo Low (pH 4.5-6) 3.29 11.08 -118.03 3 3 2 34 311.473 6

Activity (Go SEA)

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