UCSF

ZINC37053679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.93 3.61 -11.62 3 4 0 72 373.297 4
Mid Mid (pH 6-8) 2.93 4.05 -48.16 2 4 -1 74 372.289 4

Activity (Go SEA)

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