UCSF

ZINC34668667

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.32 10.57 -53.43 1 5 1 41 374.892 4
Mid Mid (pH 6-8) 3.32 8.34 -9.72 0 5 0 40 373.884 4

Activity (Go SEA)

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