UCSF

ZINC34983090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 0.03 4.16 -90.31 4 7 1 100 375.445 4
Hi High (pH 8-9.5) 0.03 1.27 -55.38 2 7 -1 94 373.429 4
Hi High (pH 8-9.5) 0.03 3.01 -89.92 3 7 0 95 374.437 4
Mid Mid (pH 6-8) 0.03 2.41 -36.45 3 7 0 99 374.437 4

Activity (Go SEA)

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