UCSF

ZINC42947028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 2.99 6.79 -110.14 4 3 2 41 312.885 8
Hi High (pH 8-9.5) 2.99 6.46 -30.22 3 3 1 40 311.877 8
Mid Mid (pH 6-8) 2.99 5.11 -42.99 3 3 1 40 311.877 8

Activity (Go SEA)

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