UCSF

ZINC22066422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) -3.44 -5.75 -161.72 4 12 -2 196 322.17 5
Mid Mid (pH 6-8) -3.44 -6.94 -70.08 5 12 -1 193 323.178 5

Activity (Go SEA)

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