UCSF

ZINC01218404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 26 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) 5.33 11.28 -15.46 1 6 0 88 408.266 5
Hi High (pH 8-9.5) 5.39 9.86 -39.79 0 6 -1 94 407.258 5

Activity (Go SEA)

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