UCSF

ZINC42172345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 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) 1.90 5.49 -106.64 4 2 2 33 186.343 5
Hi High (pH 8-9.5) 1.90 4.12 -36.21 3 2 1 29 185.335 5

Activity (Go SEA)

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