UCSF

ZINC03098780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 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) 4.27 7.09 -40.47 0 4 -1 61 367.834 4
Mid Mid (pH 6-8) 5.20 7.33 -13.07 1 4 0 62 368.842 3

Activity (Go SEA)

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