UCSF

ZINC34697550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 4.68 14.28 -50.98 1 4 1 34 427.568 5
Mid Mid (pH 6-8) 4.68 12.15 -12.24 0 4 0 33 426.56 5

Activity (Go SEA)

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