UCSF

ZINC02919640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 26 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) 5.43 14.85 -12.94 0 4 0 43 344.462 3
Mid Mid (pH 6-8) 5.44 16.2 -44.78 2 4 1 47 345.47 3
Lo Low (pH 4.5-6) 5.44 15.19 -32.41 1 4 1 45 345.47 3

Activity (Go SEA)

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