UCSF

ZINC34953931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 3.54 12.27 -66.38 0 7 -1 100 455.49 7
Lo Low (pH 4.5-6) 3.54 11.38 -19.22 1 7 0 97 456.498 7

Activity (Go SEA)

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