UCSF

ZINC45685577

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.06 2.22 -5.48 3 4 0 60 195.266 5
Mid Mid (pH 6-8) 1.06 2.58 -28.75 4 4 1 61 196.274 5

Activity (Go SEA)

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