UCSF

ZINC12884131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 15 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) -1.32 2.35 -47.04 3 5 1 74 213.257 2
Hi High (pH 8-9.5) -1.32 0.13 -13.44 2 5 0 73 212.249 2

Activity (Go SEA)

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