UCSF

ZINC34981274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.88 7.62 -114.09 3 5 2 60 270.373 10
Hi High (pH 8-9.5) 1.88 6.27 -37.96 2 5 1 56 269.365 10
Mid Mid (pH 6-8) 1.88 5.47 -49.66 2 5 1 59 269.365 10

Activity (Go SEA)

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