UCSF

ZINC45688778

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.40 5.58 -40.24 4 4 1 55 279.433 6
Hi High (pH 8-9.5) 3.40 2.83 -5.73 3 4 0 54 278.425 6

Activity (Go SEA)

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