UCSF

ZINC16994090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 24 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) 4.67 9.12 -13.64 1 4 0 51 358.85 4
Hi High (pH 8-9.5) 4.73 8.22 -42.81 0 4 -1 58 357.842 4

Activity (Go SEA)

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