UCSF

ZINC04343106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 23 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) 2.93 9.1 -45.8 2 4 1 47 315.437 4
Hi High (pH 8-9.5) 2.93 7.22 -9.35 1 4 0 45 314.429 4

Activity (Go SEA)

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