UCSF

ZINC34978497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.78 2.76 -85 4 4 2 45 245.411 8
Mid Mid (pH 6-8) 0.78 0.49 -38.81 3 4 1 43 244.403 8

Activity (Go SEA)

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