UCSF

ZINC36980390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.26 6.09 -38.39 2 4 1 56 226.296 7
Mid Mid (pH 6-8) 2.26 4.83 -6.67 1 4 0 51 225.288 7

Activity (Go SEA)

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