UCSF

ZINC01956740

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 37 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) 7.03 15.41 -15 1 6 0 74 515.631 11
Hi High (pH 8-9.5) 7.22 13.57 -47.91 0 6 -1 80 514.623 11

Activity (Go SEA)

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