UCSF

ZINC41571324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.95 5.55 -41.73 2 4 1 48 252.244 3
Mid Mid (pH 6-8) 0.95 5.09 -12.04 1 4 0 47 251.236 3

Activity (Go SEA)

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