UCSF

ZINC69565951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 27 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) 2.00 8.63 -43.13 4 6 1 88 361.425 5
Mid Mid (pH 6-8) 2.00 8.19 -15.67 3 6 0 87 360.417 5
Mid Mid (pH 6-8) 2.00 8.17 -14.11 3 6 0 87 360.417 5
Mid Mid (pH 6-8) 2.00 8.17 -14.53 3 6 0 87 360.417 5
Mid Mid (pH 6-8) 2.00 8.19 -15.86 3 6 0 87 360.417 5

Activity (Go SEA)

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

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