UCSF

ZINC36157032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 1.43 5.34 -52.47 3 7 1 83 419.571 7
Hi High (pH 8-9.5) 1.88 2.58 -49.82 2 7 0 86 418.563 7
Lo Low (pH 4.5-6) 1.43 7.65 -126.13 4 7 2 84 420.579 7

Activity (Go SEA)

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