UCSF

ZINC20265021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 22 No

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) 2.70 4.97 -9.29 1 5 0 67 319.361 2
Mid Mid (pH 6-8) 3.16 2.94 -42.08 0 5 -1 70 318.353 2
Mid Mid (pH 6-8) 3.16 3.52 -40.83 0 5 -1 70 318.353 2

Activity (Go SEA)

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