UCSF

ZINC31933605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.78 4.64 -58.84 1 6 -1 85 250.278 6
Mid Mid (pH 6-8) 0.78 4.92 -73.33 2 6 0 87 251.286 6

Activity (Go SEA)

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