UCSF

ZINC16904583

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 22 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) 2.92 4.94 -10.5 1 5 0 67 311.366 2
Lo Low (pH 4.5-6) 2.92 5.24 -46.89 2 5 1 69 312.374 2

Activity (Go SEA)

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