UCSF

ZINC37051446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.04 3.58 -38.33 2 4 1 44 210.301 4
Hi High (pH 8-9.5) -0.04 2.16 -6.7 1 4 0 39 209.293 4
Lo Low (pH 4.5-6) -0.04 3.75 -94.72 3 4 2 45 211.309 4

Activity (Go SEA)

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