UCSF

ZINC12502500

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 34 No

CAS Number: 1492-18-8

Other Names:

MFCD08704249

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) -2.95 5.21 -126.9 5 14 -2 226 469.414 9
Hi High (pH 8-9.5) -2.50 3.3 -174.86 4 14 -3 229 468.406 9
Lo Low (pH 4.5-6) -2.96 3.28 -72.03 6 14 -1 223 470.422 9

Activity (Go SEA)

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