UCSF

ZINC20175699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 30 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) 5.86 11.43 -43.21 0 4 -1 54 454.98 6
Lo Low (pH 4.5-6) 5.41 12.53 -15.23 1 4 0 51 455.988 6

Activity (Go SEA)

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