UCSF

ZINC12730954

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) 2.39 6.33 -19.66 2 7 0 101 400.485 6
Hi High (pH 8-9.5) 2.39 6.4 -49.74 1 7 -1 103 399.477 6

Activity (Go SEA)

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