UCSF

ZINC00796029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 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) 3.56 -0.09 -12.43 1 5 0 70 393.464 6
Mid Mid (pH 6-8) 2.98 -0.27 -17.48 0 5 0 67 393.464 6

Activity (Go SEA)

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