UCSF

ZINC00888455

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 25 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) 4.21 7.3 -32.67 4 4 1 69 366.388 3
Mid Mid (pH 6-8) 4.21 6.9 -10.39 3 4 0 68 365.38 3

Activity (Go SEA)

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