UCSF

ZINC42913921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.02 7.04 -115.6 4 4 2 52 279.428 6
Hi High (pH 8-9.5) 1.02 4.21 -50.98 3 4 1 51 278.42 6
Mid Mid (pH 6-8) 1.02 6.62 -32.67 3 4 1 51 278.42 6

Activity (Go SEA)

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