UCSF

ZINC44647015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.62 5.12 -42.74 2 3 1 37 217.358 5
Hi High (pH 8-9.5) 0.62 3.77 -7.19 1 3 0 32 216.35 5

Activity (Go SEA)

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