UCSF

ZINC03666053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 25 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) 5.78 9.55 -52.52 0 4 -1 62 334.395 6
Mid Mid (pH 6-8) 5.78 8.24 -9.4 1 4 0 59 335.403 6
Mid Mid (pH 6-8) 5.78 8.68 -9.4 1 4 0 59 335.403 6

Activity (Go SEA)

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