UCSF

ZINC42915522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.34 3.3 -110.32 5 3 2 52 256.365 6
Mid Mid (pH 6-8) 1.34 2.12 -44.23 4 3 1 51 255.357 6
Mid Mid (pH 6-8) 1.34 2.69 -32.43 4 3 1 51 255.357 6

Activity (Go SEA)

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