UCSF

ZINC03844477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 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) 1.67 7.41 -9.17 0 2 0 18 158.204 1
Mid Mid (pH 6-8) 1.67 7.86 -32.54 1 2 1 19 159.212 1

Activity (Go SEA)

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