UCSF

ZINC41661400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 4.40 8.98 -34.1 2 2 1 16 391.171 4
Mid Mid (pH 6-8) 4.40 7.66 -40.85 2 2 1 20 391.171 4

Activity (Go SEA)

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