UCSF

ZINC36119798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 2.97 7.17 -60.69 1 5 -1 78 322.287 5
Lo Low (pH 4.5-6) 2.97 5.39 -15.93 2 5 0 76 323.295 5

Activity (Go SEA)

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