UCSF

ZINC36615940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 31 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) 4.12 9.95 -13.77 1 7 0 93 431.883 4
Hi High (pH 8-9.5) 4.19 8.06 -41.83 0 7 -1 99 430.875 4

Activity (Go SEA)

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