UCSF

ZINC37168709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.10 5.27 -42.16 2 4 1 38 289.399 3
Lo Low (pH 4.5-6) 2.10 7.75 -108.45 3 4 2 40 290.407 3

Activity (Go SEA)

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