UCSF

ZINC59835251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 17 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) 0.48 2.46 -45.47 3 5 1 60 244.359 4
Hi High (pH 8-9.5) 0.48 2.17 -4.86 2 5 0 59 243.351 4
Lo Low (pH 4.5-6) 0.48 4.34 -128.27 4 5 2 62 245.367 4

Activity (Go SEA)

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