UCSF

ZINC37038311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -1.01 2.14 -52.8 3 5 1 60 230.332 5
Mid Mid (pH 6-8) -1.01 3.93 -126.29 4 5 2 62 231.34 5
Mid Mid (pH 6-8) -1.01 3.54 -42.21 3 5 1 60 230.332 5

Activity (Go SEA)

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