UCSF

ZINC21320419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 19 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) 0.11 2.42 -28.26 1 6 0 89 297.361 3
Mid Mid (pH 6-8) 0.17 1.52 -54.87 0 6 -1 95 296.353 3

Activity (Go SEA)

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