UCSF

ZINC62602480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.20 7.71 -50.71 3 7 1 97 310.403 9
Mid Mid (pH 6-8) 1.20 6.23 -40 1 7 -1 91 308.387 9
Mid Mid (pH 6-8) 1.20 6.73 -12.61 2 7 0 93 309.395 9
Mid Mid (pH 6-8) 1.20 7.26 -58.52 2 7 0 96 309.395 9

Activity (Go SEA)

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

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