UCSF

ZINC32600630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 16 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) 3.19 7.26 -4.73 0 2 0 27 216.328 4
Lo Low (pH 4.5-6) 3.19 8.37 -39.42 1 2 1 28 217.336 4

Activity (Go SEA)

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