UCSF

ZINC42915323

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.69 8.04 -122.42 4 2 2 32 308.466 6
Mid Mid (pH 6-8) 3.69 7.32 -49.06 3 2 1 31 307.458 6
Mid Mid (pH 6-8) 3.69 7.71 -36.2 3 2 1 30 307.458 6

Activity (Go SEA)

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