UCSF

ZINC37080623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 Yes

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) -0.01 1.06 -46.64 3 3 1 40 185.291 4
Mid Mid (pH 6-8) -0.01 2.64 -116.4 4 3 2 41 186.299 4
Mid Mid (pH 6-8) -0.01 2.82 -31.12 3 3 1 40 185.291 4

Activity (Go SEA)

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