UCSF

ZINC19608887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 4.00 9.97 -33.69 1 2 1 8 287.471 4
Hi High (pH 8-9.5) 4.00 7.74 -1.76 0 2 0 6 286.463 4
Mid Mid (pH 6-8) 4.00 10.12 -34.86 1 2 1 8 287.471 4

Activity (Go SEA)

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