UCSF

ZINC34984181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 1.21 4.72 -97.53 4 7 1 100 389.472 5
Hi High (pH 8-9.5) 1.21 1.79 -51.65 2 7 -1 94 387.456 5
Hi High (pH 8-9.5) 1.21 3.54 -82.95 3 7 0 95 388.464 5
Mid Mid (pH 6-8) 1.21 2.97 -47.35 3 7 0 99 388.464 5

Activity (Go SEA)

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