UCSF

ZINC70304263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) -0.72 0.41 -126.99 4 7 2 89 255.322 7
Hi High (pH 8-9.5) -0.72 -1.04 -49.33 3 7 1 84 254.314 7
Hi High (pH 8-9.5) -0.72 -3.29 -15.49 2 7 0 83 253.306 7
Mid Mid (pH 6-8) -0.72 -1.84 -53.2 3 7 1 88 254.314 7

Activity (Go SEA)

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

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