UCSF

ZINC37323300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.21 7.25 -46.5 1 4 1 42 241.355 6
Hi High (pH 8-9.5) 1.21 4.98 -9.94 0 4 0 41 240.347 6

Activity (Go SEA)

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