UCSF

ZINC42952841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 3.34 7.61 -117.9 4 2 2 32 313.283 4
Hi High (pH 8-9.5) 3.34 7.31 -34.7 3 2 1 30 312.275 4
Mid Mid (pH 6-8) 3.34 6.46 -41.37 3 2 1 31 312.275 4

Activity (Go SEA)

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