UCSF

ZINC35798484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 36 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) 3.45 12.83 -17.21 0 6 0 53 505.684 10
Mid Mid (pH 6-8) 3.45 15.09 -43.65 1 6 1 54 506.692 10

Activity (Go SEA)

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