UCSF

ZINC37130324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.03 3.64 -7.67 3 4 0 62 352.228 4
Hi High (pH 8-9.5) 4.03 4.56 -43.8 2 4 -1 65 351.22 4

Activity (Go SEA)

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