UCSF

ZINC58952846

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2011 26 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) 3.12 7.29 -8.75 2 6 0 78 350.422 6
Mid Mid (pH 6-8) 3.58 5.51 -44.96 1 6 -1 81 349.414 6
Lo Low (pH 4.5-6) 3.12 6.94 -43.03 3 6 1 79 351.43 6

Activity (Go SEA)

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