UCSF

ZINC08606452

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 31 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) 5.81 12.76 -17.12 1 5 0 56 439.987 9
Mid Mid (pH 6-8) 5.81 13.19 -40.63 2 5 1 57 440.995 9

Activity (Go SEA)

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