UCSF

ZINC37856266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 3.10 0.05 -40.63 1 5 -1 82 317.799 3
Hi High (pH 8-9.5) 3.10 0.14 -94.51 0 5 -2 84 316.791 3
Mid Mid (pH 6-8) 2.64 2.38 -35.99 1 5 -1 81 317.799 3
Mid Mid (pH 6-8) 2.65 2.35 -11.13 2 5 0 79 318.807 3

Activity (Go SEA)

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