UCSF

ZINC35510654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 3.62 13.5 -12.49 0 5 0 61 392.414 4
Lo Low (pH 4.5-6) 3.62 13.97 -44.34 1 5 1 62 393.422 4

Activity (Go SEA)

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