UCSF

ZINC40151077

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 29 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) -0.22 12.49 -102.47 4 6 2 69 416.953 8
Hi High (pH 8-9.5) -0.22 10.04 -33.81 3 6 1 68 415.945 8

Activity (Go SEA)

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