UCSF

ZINC23053574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 24 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) 1.78 7.29 -19.63 1 6 0 65 325.368 6
Mid Mid (pH 6-8) 1.78 7.69 -42.4 2 6 1 67 326.376 6

Activity (Go SEA)

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