UCSF

ZINC37652130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 2.29 7.74 -36.59 1 3 1 31 234.319 6
Hi High (pH 8-9.5) 2.29 5.73 -6.88 0 3 0 30 233.311 6

Activity (Go SEA)

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