UCSF

ZINC16898084

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 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) 6.64 10.55 -55.39 1 6 -1 95 490.63 7
Mid Mid (pH 6-8) 6.18 12.03 -16.76 2 6 0 92 491.638 7
Mid Mid (pH 6-8) 6.18 11.79 -21.68 2 6 0 92 491.638 7

Activity (Go SEA)

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