UCSF

ZINC45693012

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.85 6.26 -41.25 2 5 1 59 283.392 9
Hi High (pH 8-9.5) 1.85 5.18 -4.79 1 5 0 55 282.384 9
Mid Mid (pH 6-8) 1.85 8.35 -119.72 3 5 2 60 284.4 9
Mid Mid (pH 6-8) 1.85 7.1 -37.93 2 5 1 56 283.392 9

Activity (Go SEA)

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