UCSF

ZINC00200786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 1.90 -0.92 -11.07 1 5 0 56 275.352 6
Mid Mid (pH 6-8) -1.50 -0.69 -33.46 2 5 1 58 276.36 6

Activity (Go SEA)

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