UCSF

ZINC09110602

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 4.32 9.59 -60.34 0 5 -1 70 378.448 7
Mid Mid (pH 6-8) 4.77 10.04 -17.91 1 5 0 67 379.456 6

Activity (Go SEA)

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