UCSF

ZINC16578999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.29 6.18 -11.5 1 3 0 46 311.403 5
Hi High (pH 8-9.5) 3.29 6.26 -46.74 0 3 -1 48 310.395 5

Activity (Go SEA)

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