UCSF

ZINC20188176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 1.69 2.97 -51.28 3 4 1 63 257.379 6
Hi High (pH 8-9.5) 1.69 1.46 -9.39 2 4 0 58 256.371 6

Activity (Go SEA)

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