UCSF

ZINC33810150

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 Yes

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) 3.80 9.78 -28.35 1 6 0 81 366.398 4
Hi High (pH 8-9.5) 3.87 8.87 -56.38 0 6 -1 88 365.39 4

Activity (Go SEA)

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