UCSF

ZINC08995798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 6.15 10.31 -10.51 2 4 0 58 382.463 6
Hi High (pH 8-9.5) 6.15 11.01 -56.67 1 4 -1 61 381.455 6
Hi High (pH 8-9.5) 6.15 11.13 -45.23 1 4 -1 61 381.455 6

Activity (Go SEA)

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