UCSF

ZINC12395600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 15 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) 1.61 1.65 -10.5 2 3 0 41 217.215 5
Hi High (pH 8-9.5) 1.61 2.29 -47.19 1 3 -1 44 216.207 5

Activity (Go SEA)

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