UCSF

ZINC69473994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 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) -0.04 7.06 -25.19 3 3 1 45 242.346 2
Hi High (pH 8-9.5) -0.04 6.44 -5.99 2 3 0 44 241.338 2
Mid Mid (pH 6-8) -0.04 6.85 -109.53 4 3 2 47 243.354 2
Mid Mid (pH 6-8) -0.04 6.55 -48.6 3 3 1 45 242.346 2

Activity (Go SEA)

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

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