UCSF

ZINC62954990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 No

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) 2.12 7.29 -36.19 1 2 1 22 198.33 4
Hi High (pH 8-9.5) 2.12 5.11 -5.61 0 2 0 20 197.322 4

Activity (Go SEA)

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