UCSF

ZINC37817200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.67 7.69 -55.86 3 3 1 48 307.845 2
Mid Mid (pH 6-8) 3.67 8.15 -8.46 2 3 0 46 306.837 2

Activity (Go SEA)

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