UCSF

ZINC02792593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 No

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) 5.05 12.24 -56.46 1 7 -1 70 485.515 5
Mid Mid (pH 6-8) 5.23 12.58 -52.53 2 7 0 75 486.523 5
Mid Mid (pH 6-8) 4.33 11.96 -21.33 2 7 0 73 486.523 5

Activity (Go SEA)

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