UCSF

ZINC35893529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 3.83 10.94 -14.26 1 5 0 48 430.527 5
Lo Low (pH 4.5-6) 3.83 11.3 -41.32 2 5 1 50 431.535 5

Activity (Go SEA)

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