UCSF

ZINC44683919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 2.01 4.81 -35.83 2 2 1 20 195.33 3
Mid Mid (pH 6-8) 2.01 6.04 -29.57 2 2 1 16 195.33 3
Mid Mid (pH 6-8) 2.01 7.15 -105.03 3 2 2 21 196.338 3

Activity (Go SEA)

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