UCSF

ZINC36385008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 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) 1.85 4.43 -34.3 2 8 0 97 400.41 7
Mid Mid (pH 6-8) 1.85 6.89 -66.75 3 8 1 98 401.418 7
Mid Mid (pH 6-8) 2.31 4.25 -57.45 2 8 0 101 400.41 7

Activity (Go SEA)

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