UCSF

ZINC20905622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 30 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) 1.95 7.16 -52.63 2 7 1 74 411.526 7
Mid Mid (pH 6-8) 1.95 7.09 -50.29 2 7 1 74 411.526 7
Mid Mid (pH 6-8) 1.95 4.78 -13.33 1 7 0 73 410.518 7

Activity (Go SEA)

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