UCSF

ZINC42211442

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.72 7.23 -38.42 1 3 1 31 212.244 5
Mid Mid (pH 6-8) 1.72 4.99 -8.24 0 3 0 30 211.236 5

Activity (Go SEA)

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