UCSF

ZINC36354421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 2.50 7.41 -12.31 1 6 0 83 344.374 3
Ref Reference (pH 7) 2.32 10.08 -12.54 1 6 0 80 344.374 3
Mid Mid (pH 6-8) 2.32 10.54 -51.25 2 6 1 81 345.382 3
Lo Low (pH 4.5-6) 2.50 7.86 -43.98 2 6 1 85 345.382 3

Activity (Go SEA)

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