UCSF

ZINC43479434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.99 3.18 -43.65 2 6 -1 85 300.729 4
Hi High (pH 8-9.5) 2.99 3.94 -87.86 1 6 -2 88 299.721 4
Lo Low (pH 4.5-6) 2.99 3.26 -10.99 3 6 0 87 301.737 4

Activity (Go SEA)

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