UCSF

ZINC19840386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.26 4.72 -46.85 2 5 1 54 265.333 3
Hi High (pH 8-9.5) 1.26 3.33 -58.98 0 5 -1 56 263.317 3
Mid Mid (pH 6-8) 1.26 2.45 -13.13 1 5 0 53 264.325 3

Activity (Go SEA)

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