UCSF

ZINC36132673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 1.86 9.82 -76.5 1 5 0 65 296.411 4
Lo Low (pH 4.5-6) 1.86 7.79 -42.23 2 5 1 62 297.419 4

Activity (Go SEA)

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