UCSF

ZINC20729822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 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) 1.51 7.61 -66.4 1 8 -1 116 348.342 3
Ref Reference (pH 7) 1.32 10.36 -66.24 1 8 -1 113 348.342 3

Activity (Go SEA)

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