UCSF

ZINC23065980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) -0.41 -0.14 -45.94 3 5 1 59 243.327 1
Lo Low (pH 4.5-6) -0.41 1.86 -124.06 4 5 2 60 244.335 1

Activity (Go SEA)

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