UCSF

ZINC21513166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 2.19 3.63 -96.21 0 5 -2 88 329.683 6
Mid Mid (pH 6-8) 2.19 3.56 -49.39 1 5 -1 86 330.691 6

Activity (Go SEA)

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