UCSF

ZINC21630474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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) 4.26 9.07 -53.56 2 7 1 68 408.526 7
Mid Mid (pH 6-8) 4.26 6.75 -10.02 1 7 0 67 407.518 7

Activity (Go SEA)

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