UCSF

ZINC42900440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.32 3.65 -59.28 4 4 1 73 248.331 4
Hi High (pH 8-9.5) 1.78 1.24 -48.37 2 4 -1 75 246.315 4
Mid Mid (pH 6-8) 1.78 1.81 -67.34 3 4 0 76 247.323 4

Activity (Go SEA)

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