UCSF

ZINC20614910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 28 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) 2.01 8.86 -66.01 0 7 -1 82 377.424 4
Mid Mid (pH 6-8) 2.01 11.06 -86.29 1 7 0 83 378.432 4

Activity (Go SEA)

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