UCSF

ZINC04237999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 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) 1.19 9.02 -36.83 1 6 1 64 341.435 2
Mid Mid (pH 6-8) 1.19 8.56 -14.05 0 6 0 62 340.427 2

Activity (Go SEA)

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