UCSF

ZINC70304012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 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) 1.22 4 -121.86 3 5 2 60 254.359 6
Hi High (pH 8-9.5) 1.22 2.54 -42.79 2 5 1 55 253.351 6
Mid Mid (pH 6-8) 1.22 1.65 -47.05 2 5 1 59 253.351 6

Activity (Go SEA)

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

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