UCSF

ZINC04557708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 30 No

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) 5.28 10.87 -11.61 0 6 0 64 405.498 6
Mid Mid (pH 6-8) 5.28 12.84 -44.06 1 6 1 65 406.506 6

Activity (Go SEA)

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