UCSF

ZINC23736443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 23 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) 4.07 6.03 -7.79 1 4 0 42 428.314 4
Mid Mid (pH 6-8) 4.07 8.29 -47.24 2 4 1 43 429.322 4

Activity (Go SEA)

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