UCSF

ZINC37123607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.25 10.13 -6.96 1 3 0 30 255.365 5
Mid Mid (pH 6-8) 3.25 10.64 -32.48 2 3 1 31 256.373 5

Activity (Go SEA)

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