UCSF

ZINC00904273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 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) 3.43 -4.06 -11.86 2 6 0 68 418.291 5
Mid Mid (pH 6-8) 3.43 -3.88 -33.27 3 6 1 69 419.299 5

Activity (Go SEA)

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