UCSF

ZINC27076779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 43 No

CAS Number: 72025-60-6

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) -0.77 11.6 -136.43 6 12 -2 226 623.769 25
Hi High (pH 8-9.5) -0.77 11.25 -166.69 5 12 -3 225 622.761 25
Lo Low (pH 4.5-6) -0.77 9.67 -91.55 7 12 -1 224 624.777 25

Activity (Go SEA)

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