UCSF

ZINC16033847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2008 36 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) 1.16 5.36 -27.42 4 12 0 177 493.476 6
Mid Mid (pH 6-8) 1.16 4.9 -59.44 5 12 1 181 494.484 6

Activity (Go SEA)

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