UCSF

ZINC26326549

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 2.64 7.36 -48.47 1 6 -1 87 366.422 4
Mid Mid (pH 6-8) 2.18 8.64 -20.61 2 6 0 84 367.43 4

Activity (Go SEA)

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