UCSF

ZINC21842653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 2.56 10.84 -43.07 1 6 1 52 399.511 10
Hi High (pH 8-9.5) 2.56 8.76 -15.01 0 6 0 51 398.503 10

Activity (Go SEA)

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