UCSF

ZINC42904667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.62 2.78 -45.74 2 4 -1 75 274.369 4
Hi High (pH 8-9.5) 2.62 3.12 -63.16 3 4 0 76 275.377 4
Mid Mid (pH 6-8) 2.16 4.55 -8.42 3 4 0 72 275.377 4
Mid Mid (pH 6-8) 2.16 4.88 -54.1 4 4 1 73 276.385 4

Activity (Go SEA)

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