UCSF

ZINC21228675

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 36 No

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) 5.86 11.23 -13.56 3 8 0 116 485.54 6
Mid Mid (pH 6-8) 5.86 12.18 -59.48 2 8 -1 119 484.532 6

Activity (Go SEA)

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