UCSF

ZINC35078705

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 27 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) -0.62 12.99 -97.7 4 5 2 60 366.509 6
Hi High (pH 8-9.5) -0.62 10.78 -29.72 3 5 1 58 365.501 6

Activity (Go SEA)

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