UCSF

ZINC55405063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 27 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) 0.90 5.1 -10.12 1 6 0 70 368.481 5
Lo Low (pH 4.5-6) 0.90 7.09 -52.05 2 6 1 71 369.489 5

Activity (Go SEA)

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