UCSF

ZINC44687252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.23 7.81 -41.86 2 2 1 20 275.391 5
Lo Low (pH 4.5-6) 3.23 10.2 -119.12 3 2 2 21 276.399 5
Lo Low (pH 4.5-6) 3.23 9.27 -35.25 2 2 1 16 275.391 5

Activity (Go SEA)

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