UCSF

ZINC42562444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) -1.36 0.5 -49.14 2 6 -1 98 201.202 5
Lo Low (pH 4.5-6) -1.36 -1.48 -11.16 3 6 0 95 202.21 5

Activity (Go SEA)

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