UCSF

ZINC37424417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 2.66 8.45 -48.57 2 3 1 34 311.236 3
Hi High (pH 8-9.5) 2.66 7.06 -7.04 1 3 0 30 310.228 3

Activity (Go SEA)

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