UCSF

ZINC16741447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 5.80 14.1 -13.93 0 6 0 73 454.526 5
Lo Low (pH 4.5-6) 5.80 14.37 -30.53 1 6 1 74 455.534 5

Activity (Go SEA)

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