UCSF

ZINC49900379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 19 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) 1.84 6.06 -13.09 0 5 0 50 270.373 7
Mid Mid (pH 6-8) 1.84 8.25 -43.29 1 5 1 51 271.381 7

Activity (Go SEA)

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