UCSF

ZINC20135366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 1.56 1.93 -10.06 2 5 0 59 259.309 2
Lo Low (pH 4.5-6) 1.56 2.03 -34.32 3 5 1 61 260.317 2

Activity (Go SEA)

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