UCSF

ZINC21511406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 5.39 9.64 -116.74 4 2 2 32 284.532 5
Hi High (pH 8-9.5) 5.39 7.6 -44.24 3 2 1 31 283.524 5

Activity (Go SEA)

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