UCSF

ZINC36138313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 1.14 7.41 -66.56 0 6 -1 79 300.375 9
Lo Low (pH 4.5-6) 1.14 5.43 -15.5 1 6 0 76 301.383 9

Activity (Go SEA)

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