UCSF

ZINC18142691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 25 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) 2.85 9.83 -11.08 1 4 0 41 369.515 4
Hi High (pH 8-9.5) 3.31 9.41 -36.93 0 4 -1 44 368.507 4

Activity (Go SEA)

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