UCSF

ZINC34939340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 No

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) 3.11 5.81 -6.78 1 3 0 38 262.618 2
Mid Mid (pH 6-8) 3.56 3.96 -6.24 1 3 0 38 262.618 2

Activity (Go SEA)

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