UCSF

ZINC42409299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) 1.33 2.02 -36.78 3 3 1 40 215.361 6
Mid Mid (pH 6-8) 1.33 3.7 -108.36 4 3 2 41 216.369 6
Mid Mid (pH 6-8) 1.33 2.49 -31.65 3 3 1 37 215.361 6

Activity (Go SEA)

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