UCSF

ZINC37782471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 2.21 7.78 -37.74 2 3 1 37 267.78 5
Hi High (pH 8-9.5) 2.21 6.34 -9.94 1 3 0 32 266.772 5

Activity (Go SEA)

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