UCSF

ZINC29564028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 32 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) 3.73 12.67 -50.25 2 6 1 47 438.571 7
Hi High (pH 8-9.5) 3.73 10.42 -11.73 1 6 0 46 437.563 7
Lo Low (pH 4.5-6) 3.73 15.36 -197.51 4 6 3 49 440.587 7

Activity (Go SEA)

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