UCSF

ZINC37821738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.91 -0.39 -46.49 4 6 1 80 257.358 5
Hi High (pH 8-9.5) -0.91 -0.8 -8.33 3 6 0 79 256.35 5
Mid Mid (pH 6-8) -0.91 1.53 -94.78 5 6 2 81 258.366 5

Activity (Go SEA)

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