UCSF

ZINC17195091

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 24 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) 5.03 9.09 -9.66 1 4 0 51 423.719 4
Hi High (pH 8-9.5) 5.10 8.18 -37.69 0 4 -1 58 422.711 4

Activity (Go SEA)

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