UCSF

ZINC28766422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 0.60 7.53 -103.08 3 7 0 106 362.405 3
Lo Low (pH 4.5-6) -2.98 6.58 -77.66 4 7 1 109 363.413 2

Activity (Go SEA)

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