UCSF

ZINC32111396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.63 6.06 -41.25 2 3 1 37 261.389 4
Hi High (pH 8-9.5) 2.63 4.72 -6.57 1 3 0 32 260.381 4
Mid Mid (pH 6-8) 2.63 6.88 -33 2 3 1 34 261.389 4
Lo Low (pH 4.5-6) 2.63 8.28 -116.04 3 3 2 38 262.397 4

Activity (Go SEA)

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