UCSF

ZINC15935262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 23 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) 4.83 9.63 -9.08 1 4 0 43 369.321 5
Lo Low (pH 4.5-6) 4.83 10.08 -31.91 2 4 1 44 370.329 5
Lo Low (pH 4.5-6) 4.83 10.18 -33.7 2 4 1 44 370.329 5
Lo Low (pH 4.5-6) 4.83 10.64 -87.51 3 4 2 45 371.337 5

Activity (Go SEA)

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