UCSF

ZINC36643542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.96 4.64 -14.08 0 6 0 55 377.872 6
Mid Mid (pH 6-8) 1.96 6.89 -49.78 1 6 1 56 378.88 6

Activity (Go SEA)

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