UCSF

ZINC36396561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 25 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) 1.91 9.52 -17.58 0 5 0 54 402.292 5
Lo Low (pH 4.5-6) 1.91 9.93 -38.55 1 5 1 55 403.3 5

Activity (Go SEA)

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