UCSF

ZINC70514926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.44 4.07 -33.34 3 4 1 49 299.479 6
Mid Mid (pH 6-8) 2.44 4.12 -93.46 4 4 2 51 300.487 6

Activity (Go SEA)

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