UCSF

ZINC32112504

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) 1.55 5.29 -44.62 2 4 1 46 263.361 4
Hi High (pH 8-9.5) 1.55 3.87 -9.81 1 4 0 42 262.353 4
Mid Mid (pH 6-8) 1.55 6.08 -33.57 2 4 1 43 263.361 4
Lo Low (pH 4.5-6) 1.55 7.48 -115.78 3 4 2 47 264.369 4

Activity (Go SEA)

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