UCSF

ZINC37853552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.23 2.73 -8.21 2 3 0 41 274.147 6
Mid Mid (pH 6-8) 2.23 4.1 -49.35 3 3 1 46 275.155 6

Activity (Go SEA)

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