UCSF

ZINC42453110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.94 4.41 -39.64 3 5 1 58 255.386 8
Hi High (pH 8-9.5) 0.94 2.92 -6.6 2 5 0 53 254.378 8

Activity (Go SEA)

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