UCSF

ZINC20731153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 4.37 8.42 -14.99 1 6 0 76 387.468 3
Ref Reference (pH 7) 4.18 10.61 -19.1 1 6 0 73 387.468 3

Activity (Go SEA)

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