UCSF

ZINC37574979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 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) 3.06 3.62 -6.22 0 4 0 41 412.147 3
Mid Mid (pH 6-8) 3.06 5.84 -41.84 1 4 1 42 413.155 3

Activity (Go SEA)

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