UCSF

ZINC34969916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 4.89 8.89 -12.44 1 6 0 70 490.069 9
Mid Mid (pH 6-8) 4.89 11.13 -59.62 2 6 1 71 491.077 9

Activity (Go SEA)

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