UCSF

ZINC01956629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 34 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) 5.70 13.9 -14.02 1 7 0 91 481.57 11
Hi High (pH 8-9.5) 5.89 12.01 -42.18 0 7 -1 97 480.562 11

Activity (Go SEA)

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