UCSF

ZINC44517583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.98 6.86 -109.92 4 4 2 51 359.308 6
Hi High (pH 8-9.5) 2.98 7.77 -111.61 3 4 1 53 358.3 6

Activity (Go SEA)

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