UCSF

ZINC34560547

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 3.29 11.79 -45.08 2 5 1 36 437.583 6
Hi High (pH 8-9.5) 3.29 9.56 -8.03 1 5 0 35 436.575 6

Activity (Go SEA)

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