UCSF

ZINC34955067

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.64 12.42 -61.53 0 6 -1 86 454.531 4
Lo Low (pH 4.5-6) 4.64 11.53 -15.03 1 6 0 83 455.539 4

Activity (Go SEA)

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