UCSF

ZINC20519841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 3.83 9.42 -57.17 0 4 -1 58 245.302 6
Mid Mid (pH 6-8) 3.83 9.87 -66.37 1 4 0 59 246.31 6

Activity (Go SEA)

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