UCSF

ZINC27345348

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 12 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) -0.85 2.37 -39.29 4 4 1 60 172.252 2
Hi High (pH 8-9.5) -0.85 0.14 -10.95 3 4 0 58 171.244 2

Activity (Go SEA)

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