UCSF

ZINC28965275

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 27 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) 3.02 7.18 -14.03 1 5 0 55 366.461 5
Mid Mid (pH 6-8) 3.02 9.45 -55.55 2 5 1 56 367.469 5

Activity (Go SEA)

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