UCSF

ZINC20247761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 26 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) 4.47 7.05 -10.41 1 6 0 73 370.43 5
Ref Reference (pH 7) 3.98 6.94 -43.25 0 6 -1 72 369.422 6
Mid Mid (pH 6-8) 3.98 7.42 -17.05 1 6 0 70 370.43 6

Activity (Go SEA)

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