UCSF

ZINC27407612

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 19 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) 1.37 3.86 -14.18 4 6 0 104 256.244 1
Lo Low (pH 4.5-6) 1.37 4.36 -33.14 5 6 1 105 257.252 1

Activity (Go SEA)

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