UCSF

ZINC37807073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 1.84 3.76 -7.72 1 3 0 32 230.377 3
Mid Mid (pH 6-8) 1.84 5.14 -39.73 2 3 1 37 231.385 3

Activity (Go SEA)

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