UCSF

ZINC37051931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.66 1.19 -37.8 3 4 1 55 196.274 3
Hi High (pH 8-9.5) -0.66 -0.27 -9.59 2 4 0 50 195.266 3
Lo Low (pH 4.5-6) -0.66 1.35 -91.97 4 4 2 56 197.282 3

Activity (Go SEA)

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