UCSF

ZINC32101923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 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) 3.68 6.06 -5.66 0 2 0 16 244.791 3
Lo Low (pH 4.5-6) 3.68 6.47 -26.7 1 2 1 17 245.799 3

Activity (Go SEA)

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