UCSF

ZINC45687107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.43 7.49 -100.84 3 4 2 47 244.379 7
Hi High (pH 8-9.5) 1.43 6.28 -38.27 2 4 1 43 243.371 7

Activity (Go SEA)

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