UCSF

ZINC09175607

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 32 No

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) 3.08 7.85 -55.51 1 7 -1 103 453.471 5
Mid Mid (pH 6-8) 3.52 -0.83 -20.19 2 7 0 99 454.479 4

Activity (Go SEA)

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