UCSF

ZINC50053333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 18 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) 1.55 6.28 -41.71 2 5 1 60 257.354 8
Hi High (pH 8-9.5) 1.55 4.22 -10.64 1 5 0 59 256.346 8

Activity (Go SEA)

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