UCSF

ZINC19527889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 19 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) 1.02 4.8 -39.81 2 5 1 50 283.421 4
Hi High (pH 8-9.5) 1.02 2.54 -12.91 1 5 0 48 282.413 4
Mid Mid (pH 6-8) 1.21 3.67 -30.33 1 5 0 56 282.413 4
Mid Mid (pH 6-8) 1.95 4.08 -28.64 2 5 1 53 283.421 3

Activity (Go SEA)

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