UCSF

ZINC35425778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 2.88 11.3 -18.11 1 9 0 94 464.551 6
Lo Low (pH 4.5-6) 2.88 11.57 -42.33 2 9 1 95 465.559 6

Activity (Go SEA)

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