UCSF

ZINC43411672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.14 4.33 -35.63 3 4 1 49 258.43 8
Hi High (pH 8-9.5) 2.14 2.56 -6.46 2 4 0 44 257.422 8
Mid Mid (pH 6-8) 2.14 5.19 -30.97 3 4 1 46 258.43 8
Lo Low (pH 4.5-6) 2.14 6.3 -105.89 4 4 2 50 259.438 8

Activity (Go SEA)

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