UCSF

ZINC13541443

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 No

CAS Number: 67869-62-9

Other Names:

MFCD00065510

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) -4.75 3.33 -127.53 9 12 1 201 426.498 10
Hi High (pH 8-9.5) -4.81 2.98 -84.89 8 12 0 202 425.49 9
Hi High (pH 8-9.5) -4.75 2.94 -85.42 8 12 0 200 425.49 10

Activity (Go SEA)

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