UCSF

ZINC20253426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 2.05 6.86 -32.27 2 3 1 29 256.439 7
Mid Mid (pH 6-8) 2.05 5.29 -36.19 2 3 1 33 256.439 7
Mid Mid (pH 6-8) 2.05 7.34 -111.99 3 3 2 34 257.447 7

Activity (Go SEA)

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