UCSF

ZINC41194602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 4.37 9.25 -35.43 2 2 1 29 301.479 5
Mid Mid (pH 6-8) 4.37 8.5 -4.01 1 2 0 25 300.471 5
Lo Low (pH 4.5-6) 4.37 9.64 -101 3 2 2 31 302.487 5

Activity (Go SEA)

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