UCSF

ZINC02801217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 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) 6.30 9.97 -9.67 1 6 0 73 489.391 8
Mid Mid (pH 6-8) 5.81 9.44 -43.01 0 6 -1 72 488.383 9
Lo Low (pH 4.5-6) 5.81 9.85 -15.55 1 6 0 70 489.391 9

Activity (Go SEA)

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