UCSF

ZINC21784755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 5.09 8.93 -41.12 1 6 -1 87 438.504 6
Mid Mid (pH 6-8) 4.63 10.04 -14.23 2 6 0 84 439.512 6

Activity (Go SEA)

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