UCSF

ZINC39712254

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 12 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) 2.18 5.22 -111.6 4 2 2 33 174.332 8
Mid Mid (pH 6-8) 2.18 4.18 -36.34 3 2 1 29 173.324 8
Mid Mid (pH 6-8) 2.18 3.86 -33.26 3 2 1 29 173.324 8

Activity (Go SEA)

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