UCSF

ZINC60087854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 35 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) 2.84 11.07 -18.87 2 10 0 112 479.537 6
Mid Mid (pH 6-8) 2.84 11.37 -41.1 3 10 1 114 480.545 6

Activity (Go SEA)

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