UCSF

ZINC13584501

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 4.05 9.27 -6.79 1 3 0 41 334.803 3
Mid Mid (pH 6-8) 4.05 8.85 -31.28 0 3 -1 44 333.795 4

Activity (Go SEA)

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