UCSF

ZINC41672318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 1.20 5.32 -26.67 2 4 0 66 241.312 5
Hi High (pH 8-9.5) 1.20 4.2 -49.58 1 4 -1 61 240.304 5

Activity (Go SEA)

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