UCSF

ZINC19807238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 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) 3.70 5.8 -19.09 2 4 0 73 272.691 2
Mid Mid (pH 6-8) 3.70 6.83 -58.56 1 4 -1 76 271.683 2

Activity (Go SEA)

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