UCSF

ZINC16584327

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 21 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) 3.42 7.8 -15.41 1 4 0 55 315.423 4
Lo Low (pH 4.5-6) 3.42 8.08 -47.18 2 4 1 56 316.431 4

Activity (Go SEA)

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