UCSF

ZINC42950415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 3.30 3.37 -45.4 2 4 -1 75 308.814 4
Hi High (pH 8-9.5) 3.30 3.63 -64.42 3 4 0 76 309.822 4
Mid Mid (pH 6-8) 2.84 5.08 -9.15 3 4 0 72 309.822 4
Mid Mid (pH 6-8) 2.84 5.4 -58.3 4 4 1 73 310.83 4

Activity (Go SEA)

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