UCSF

ZINC42779742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.22 4.97 -40.87 2 2 1 20 225.381 4
Hi High (pH 8-9.5) 2.22 5.59 -34.52 2 2 1 16 225.381 4
Mid Mid (pH 6-8) 2.22 7.03 -105.7 3 2 2 21 226.389 4

Activity (Go SEA)

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