UCSF

ZINC69952029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 1.50 4.06 -34.7 2 5 1 46 312.459 7
Mid Mid (pH 6-8) 1.50 1.71 -8.34 1 5 0 45 311.451 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.