UCSF

ZINC41679334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) -0.76 -0.35 -7.34 1 6 0 81 200.194 4
Mid Mid (pH 6-8) -0.31 -3.02 -36.28 0 6 -1 84 199.186 4

Activity (Go SEA)

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