UCSF

ZINC16732133

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 4.13 11.98 -65.87 1 6 0 74 454.542 10
Hi High (pH 8-9.5) 4.13 9.66 -56.3 0 6 -1 73 453.534 10
Mid Mid (pH 6-8) 4.58 10.86 -54.58 2 6 1 71 455.55 9
Mid Mid (pH 6-8) 3.55 11.86 -54.63 1 6 1 68 455.55 10

Activity (Go SEA)

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