UCSF

ZINC13570397

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 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) 3.38 4.75 -55.47 0 7 -1 93 379.392 4
Ref Reference (pH 7) 3.38 4.83 -54.34 0 7 -1 93 379.392 4
Lo Low (pH 4.5-6) 2.93 7.53 -12.89 1 7 0 90 380.4 4

Activity (Go SEA)

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