UCSF

ZINC06440901

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 28 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) 3.79 7.7 -19.5 2 6 0 91 369.38 4
Hi High (pH 8-9.5) 4.25 5.79 -57.88 1 6 -1 94 368.372 4

Activity (Go SEA)

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