UCSF

ZINC04354022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 26 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) 4.39 -2.32 -15.7 1 7 0 101 370.386 6
Hi High (pH 8-9.5) 4.39 -1.74 -41.49 0 7 -1 103 369.378 6

Activity (Go SEA)

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