UCSF

ZINC40174324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 3.35 10.65 -8.06 0 6 0 69 330.384 7
Mid Mid (pH 6-8) 3.35 11.04 -33.31 1 6 1 70 331.392 7

Activity (Go SEA)

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