UCSF

ZINC45703294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) -0.03 5.08 -45.11 2 5 1 63 231.316 8
Mid Mid (pH 6-8) -0.03 3.71 -9.51 1 5 0 59 230.308 8

Activity (Go SEA)

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