UCSF

ZINC45704049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.72 2.1 -37.08 3 5 1 59 277.429 13
Mid Mid (pH 6-8) 0.72 2.64 -36.46 3 5 1 55 277.429 13
Lo Low (pH 4.5-6) 0.72 3.78 -111.55 4 5 2 60 278.437 13

Activity (Go SEA)

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