UCSF

ZINC19845309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 2.89 6.36 -43.17 0 4 -1 56 267.736 2
Mid Mid (pH 6-8) 2.89 6.59 -34.83 1 4 0 58 268.744 2

Activity (Go SEA)

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