UCSF

ZINC19423947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.75 2.91 -45.82 3 4 1 57 229.344 3
Mid Mid (pH 6-8) 0.75 2.59 -7.02 2 4 0 56 228.336 3

Activity (Go SEA)

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