UCSF

ZINC34548833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 5.17 13.54 -48.5 1 7 1 59 476.597 11
Hi High (pH 8-9.5) 5.17 11.08 -11.84 0 7 0 58 475.589 11
Lo Low (pH 4.5-6) 5.17 14.12 -83.15 2 7 2 60 477.605 11

Activity (Go SEA)

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