UCSF

ZINC13690088

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 3.42 8.38 -9.98 0 5 0 56 384.435 4
Lo Low (pH 4.5-6) 3.42 11.57 -106.79 2 5 2 58 386.451 4

Activity (Go SEA)

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