UCSF

ZINC42383056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 25 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) 0.43 4.8 -16.35 1 7 0 79 367.471 9
Mid Mid (pH 6-8) 0.43 7.02 -56.24 2 7 1 80 368.479 9

Activity (Go SEA)

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