UCSF

ZINC41681528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.53 7.09 -38.34 2 3 1 26 275.416 2
Mid Mid (pH 6-8) 2.53 5.6 -3.23 1 3 0 24 274.408 2
Mid Mid (pH 6-8) 2.53 6.9 -41.01 2 3 1 29 275.416 2

Activity (Go SEA)

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