UCSF

ZINC49543183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 34 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) 4.04 13.96 -68.37 1 6 1 62 464.582 7
Hi High (pH 8-9.5) 4.04 11.68 -20.75 0 6 0 61 463.574 7

Activity (Go SEA)

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