UCSF

ZINC04872409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 3.24 8.08 -18.31 2 6 0 84 371.462 7
Hi High (pH 8-9.5) 3.69 6.23 -53.11 1 6 -1 87 370.454 7

Activity (Go SEA)

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