UCSF

ZINC34376130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 27 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) -0.92 -3.3 -56.01 7 9 1 150 379.437 8
Mid Mid (pH 6-8) -0.92 -4.61 -15 6 9 0 145 378.429 8

Activity (Go SEA)

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