UCSF

ZINC33700435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 5.04 12.89 -59.76 0 7 -1 92 491.589 9
Lo Low (pH 4.5-6) 5.04 11.6 -21.74 1 7 0 89 492.597 9

Activity (Go SEA)

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