UCSF

ZINC32230225

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) 2.94 6.78 -5.14 1 3 0 28 313.42 6
Mid Mid (pH 6-8) 2.94 8.93 -44.09 2 3 1 29 314.428 6
Lo Low (pH 4.5-6) 2.94 9.16 -98.55 3 3 2 31 315.436 6
Lo Low (pH 4.5-6) 2.94 8.11 -51.63 2 3 1 33 314.428 6

Activity (Go SEA)

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