UCSF

ZINC22756281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 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) 1.93 4.28 -41.64 0 6 -1 79 301.351 3
Mid Mid (pH 6-8) 1.93 4.21 -14.66 1 6 0 77 302.359 3

Activity (Go SEA)

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