UCSF

ZINC34325868

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 28 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) 3.69 12.55 -54.51 1 5 1 41 393.536 4
Mid Mid (pH 6-8) 3.69 10.33 -12.4 0 5 0 40 392.528 4

Activity (Go SEA)

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