UCSF

ZINC37123666

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) 2.74 10.11 -42 2 4 1 34 283.399 4
Mid Mid (pH 6-8) 2.74 10.62 -77.9 3 4 2 36 284.407 4

Activity (Go SEA)

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