UCSF

ZINC61995785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) -0.22 2.36 -109.4 4 3 2 41 174.288 7
Mid Mid (pH 6-8) -0.22 0.07 -39.14 3 3 1 40 173.28 7
Mid Mid (pH 6-8) -0.22 1.02 -32.89 3 3 1 37 173.28 7

Activity (Go SEA)

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