UCSF

ZINC57995829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 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) 2.94 9.73 -17.55 1 6 0 73 365.433 8
Mid Mid (pH 6-8) 2.94 10.21 -39.63 2 6 1 74 366.441 8

Activity (Go SEA)

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