UCSF

ZINC41679102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.11 4.89 -43.94 1 5 1 55 306.839 7
Hi High (pH 8-9.5) 2.11 2.43 -8.08 0 5 0 54 305.831 7

Activity (Go SEA)

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