UCSF

ZINC49754098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 16 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) 0.91 2.74 -9.59 0 5 0 48 233.308 10
Mid Mid (pH 6-8) 0.91 4.91 -36.51 1 5 1 49 234.316 10

Activity (Go SEA)

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