UCSF

ZINC13075161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 27 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) 4.43 10.12 -7.67 0 3 0 24 366.549 3
Mid Mid (pH 6-8) 4.43 12.42 -47.52 1 3 1 25 367.557 3

Activity (Go SEA)

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