UCSF

ZINC32506067

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 24 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) 2.57 6.79 -17.14 0 5 0 67 364.492 2
Lo Low (pH 4.5-6) 2.57 7.71 -37.21 1 5 1 68 365.5 2

Activity (Go SEA)

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