UCSF

ZINC20615081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 4.81 7.73 -26.99 2 5 0 71 352.365 4
Hi High (pH 8-9.5) 4.81 8.75 -77.28 1 5 -1 74 351.357 4

Activity (Go SEA)

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