UCSF

ZINC16895141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 31 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) 5.67 10.53 -22.11 2 6 0 88 464.597 5
Mid Mid (pH 6-8) 5.67 10.78 -19.6 2 6 0 88 464.597 5
Mid Mid (pH 6-8) 6.12 9.28 -52.02 1 6 -1 91 463.589 5

Activity (Go SEA)

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