UCSF

ZINC09012454

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 2.64 4.4 -52.67 2 8 -1 116 383.428 5
Mid Mid (pH 6-8) 2.19 6.74 -13.25 3 8 0 113 384.436 5

Activity (Go SEA)

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