UCSF

ZINC17195509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 3.60 7.68 -48.08 0 6 -1 88 393.325 3
Ref Reference (pH 7) 3.60 7.51 -48.63 0 6 -1 88 393.325 3
Lo Low (pH 4.5-6) 3.14 10.18 -12.64 1 6 0 85 394.333 3

Activity (Go SEA)

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