UCSF

ZINC42463746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.50 1.26 -45.43 3 4 1 49 243.371 5
Hi High (pH 8-9.5) 0.50 1.81 -3.32 2 4 0 48 242.363 5
Mid Mid (pH 6-8) 0.50 3.55 -31.34 3 4 1 49 243.371 5

Activity (Go SEA)

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