UCSF

ZINC04433443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 20 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) 3.24 5.2 -20.12 1 7 0 108 313.36 3
Hi High (pH 8-9.5) 2.31 -2.85 -40.74 0 7 -1 106 312.352 4

Activity (Go SEA)

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