UCSF

ZINC37207219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 1.91 3.59 -49.75 3 3 1 46 258.139 4
Hi High (pH 8-9.5) 1.91 2.24 -9.39 2 3 0 41 257.131 4

Activity (Go SEA)

Rings

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