UCSF

ZINC06622019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 3.69 9.98 -60.57 0 5 -1 74 376.432 5
Mid Mid (pH 6-8) 3.69 2.28 -12.88 1 5 0 70 377.44 5
Mid Mid (pH 6-8) 3.10 2.23 -21.99 0 5 0 67 377.44 5

Activity (Go SEA)

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