UCSF

ZINC37855442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.41 -3.86 -47.83 4 6 1 78 232.304 6
Hi High (pH 8-9.5) -1.41 -5.2 -11.81 3 6 0 74 231.296 6
Mid Mid (pH 6-8) -1.41 -3.32 -37.52 3 6 0 81 231.296 6
Mid Mid (pH 6-8) -1.41 -1.59 -111.1 5 6 2 80 233.312 6

Activity (Go SEA)

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