UCSF

ZINC12808425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 27 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) 3.07 6.88 -48.17 2 5 1 48 389.903 6
Hi High (pH 8-9.5) 3.07 5.4 -8.57 1 5 0 43 388.895 6

Activity (Go SEA)

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