UCSF

ZINC16731632

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 3.70 11.96 -56.04 0 5 -1 73 419.46 5
Lo Low (pH 4.5-6) 3.70 11.2 -12.3 1 5 0 71 420.468 5

Activity (Go SEA)

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