UCSF

ZINC13690150

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 1.07 5.29 -57.51 0 8 -1 91 423.493 6
Mid Mid (pH 6-8) 1.52 6.63 -62.41 2 8 1 89 425.509 5
Mid Mid (pH 6-8) 0.49 7.55 -55.35 1 8 1 86 425.509 6
Mid Mid (pH 6-8) 1.07 7.63 -66.23 1 8 0 92 424.501 6

Activity (Go SEA)

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