UCSF

ZINC32708014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 25 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) 1.83 11.47 -119.7 0 6 -2 102 377.443 7
Lo Low (pH 4.5-6) 1.83 9.51 -54.78 1 6 -1 99 378.451 7

Activity (Go SEA)

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