UCSF

ZINC33821282

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 28 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) 1.32 3.16 -19.76 4 7 0 124 388.416 5
Hi High (pH 8-9.5) 1.32 4.23 -63.4 3 7 -1 127 387.408 5

Activity (Go SEA)

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