UCSF

ZINC34397666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2009 23 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) 2.75 8.92 -11.44 1 4 0 49 311.429 1
Lo Low (pH 4.5-6) 2.75 9.36 -38.71 2 4 1 50 312.437 1

Activity (Go SEA)

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