UCSF

ZINC35697823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.99 7.75 -37.22 2 4 1 42 298.457 4
Mid Mid (pH 6-8) 2.44 6.48 -46.88 1 4 0 45 297.449 4

Activity (Go SEA)

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