UCSF

ZINC42409404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 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) 0.56 3.5 -102.11 4 3 2 41 202.342 6
Hi High (pH 8-9.5) 0.56 2.14 -34.37 3 3 1 37 201.334 6
Mid Mid (pH 6-8) 0.56 1.25 -38.41 3 3 1 40 201.334 6

Activity (Go SEA)

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