UCSF

ZINC04229961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 25 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) 3.19 3.29 -10.09 3 7 0 100 361.785 5
Hi High (pH 8-9.5) 3.19 4.06 -49.44 2 7 -1 103 360.777 5

Activity (Go SEA)

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